1. R. A. Olofson, J. M. Landesberg, K. N. Houk, and J. S. Michelman: "The Deprotonation of Thiazole and Related Bases," J. Am. Chem. Soc., 88, 4265-4266 (1966).

2. K. N. Houk and R. B. Woodward: "Cycloaddition Reactions of Cycloheptatriene and 2,5-Dimethyl-3,4-diphenylcyclopentadienone," J. Am. Chem. Soc., 92, 4143 (1970).

3. K. N. Houk and R. B. Woodward: "Cycloaddition Reactions of Tropone and 2,5-Dimethyl-3,4-diphenyl-cyclopentadienone," J. Am. Chem. Soc., 92, 4145 (1970).

4. K. N. Houk: "The Role of Secondary Orbital Interactions in Cycloaddition Reactions," Tetrahedron Lett., 30, 2621 (1970).

5. K. N. Houk, L. J. Luskus, and N. S. Bhacca: "The Novel Double [6+4] Cycloaddition of Tropone to Dimethylfulvene," J. Am. Chem. Soc., 92, 6392 (1970).

6. K. N. Houk and C. R. Watts: "Cycloadditions of Tropone to Diphenyl-nitrileimine: A [6+4] 1,3-Dipolar Cycloaddition," Tetrahedron Lett., 46, 4025 (1970).

7. K. N. Houk and L. J. Luskus: "The [6+4] 1,3-Dipolar Cycloaddition of Diazomethane to Dimethylfulvene," Tetrahedron Lett., 46, 4029 (1970).

8. N. S. Bhacca, L. J. Luskus, and K. N. Houk: "Elucidation of the Structure of the Double [6+4] Adduct of Tropone and Dimethylfulvene by Nuclear Magnetic Resonance and the Nuclear Overhauser Effect," Chem. Comm., 109 (1971).

9. K. N. Houk and L. J. Luskus: "The Influence of Steric Interactions on Endo Stereoselectivity," J. Am. Chem. Soc., 93, 4606 (1971).

10. K. N. Houk and D. J. Northington: "Photochemistry of Tricyclo-[4.4.1.12,5]-dodeca-3,7.9-trienes. I. Selective Photochemically Forbidden Processes," J. Am. Chem. Soc., 93, 6693 (1971).

11. K. N. Houk and D. J. Northington: "Photochemistry of Cyclopentadienone Dimers," Tetrahedron Lett., 4, 303 (1972).

12. K. N. Houk and D. J. Northington: "Solvent Dependence in the Photochemical Dimerization and (p2a+s2a) Rearrangement of a Bridged 3,5-Cycloheptadienone," J. Am. Chem. Soc., 94, 1387 (1972).

13. L. J. Luskus and K. N. Houk: "Pyrazolotropones in the Cycloaddition of Diazomethane to Tropone," Tetrahedron Lett., 1925 (1972).

14. K. N. Houk, L. J. Luskus, and N. S. Bhacca: "Stereoselective [6+4] Cycloadditions of Methylfulvene and Phenylfulvene to Tropone," Tetrahedron Lett., 2297 (1972).

15. K. N. Houk, D. J. Northington, and R. E. Duke: "A Molecular Orbital Model for the Photochemistry of b, g-Unsaturated Ketones," J. Am. Chem. Soc., 94, 6233 (1972).

16. K. N. Houk: "Regioselectivity and Reactivity in the 1,3-Dipolar Cycloadditions of Diazonium Betaines (Diazoalkanes, Azides, and Nitrous Oxide)," J. Am. Chem. Soc., 94, 8953 (1972).

17. K. N. Houk: "Generalized Frontier Orbitals of Alkenes and Dienes: Regioselectivity in Diels-Alder Reactions," J. Am. Chem. Soc., 95, 4092 (1973).

18. K. N. Houk and R. W. Strozier: "On Lewis Acid Catalysis of Diels-Alder Reactions," J. Am. Chem. Soc., 95, 4094 (1973).

19. J. Sims and K. N. Houk: "Reversal of Nitrone Cycloaddition Regioselectivity with Electron-Deficient Dipolarophiles," J. Am. Chem. Soc., 95, 5798 (1973).

20. K. N. Houk and L. J. Luskus: "Cycloadditions of Dienes to Fulvenes," J. Org. Chem., 38, 3836 (1973).

21. K. N. Houk, J. Sims, R. E. Duke Jr., R. W. Strozier, and J. K. George: "Frontier Molecular Orbitals of 1,3-Dipoles and Dipolarophiles," J. Am. Chem. Soc., 95, 7287 (1973).

22. K. N. Houk, J. Sims, C. R. Watts, and L. J. Luskus: "The Origin of Reactivity, Regioiselectivity, and Periselectivity in 1,3-Dipolar Cycloadditions," J. Am. Chem. Soc., 95, 7301 (1973).

23. K. N. Houk, L. P. Davis, G. R. Newkome, R. E. Duke Jr., and R. V. Nauman: "Photoelectron Spectroscopy of Cyclic b-Diketones and Their Enolone Tautomers," J. Am. Chem. Soc., 95, 8364 (1973).

24. K. N. Houk: "Pericyclic Reactions and Orbital Symmetry," in "Survey of Progress in Chemistry," (A. Scott, Editor ) Academic Press, 6, 113 (1973).

25. K. N. Houk, J. K. George, and R. E. Duke Jr.: "A Frontier Molecular Orbital Treatment of Fulvene Cycloadditions: Molecular Orbital Calculations and Photoelectron Spectra of Substituted Fulvenes," Tetrahedron Lett., 523 (1974).

26. K. N. Houk, R. W. Strozier, and J. A. Hall: "Heterocumulene Molecular Orbitals: Ketenes, Isocyanates, Sulfenes, and Sulfonylamines," Tetrahedron Lett., 897 (1974).

27. W. A. Pryor, J. H. Coco, W. H. Daly, and K. N. Houk: "Radical Generation from Polymolecular Reactions of Closed-Shell Molecules. Molecule-Assisted Homolysis (MAH). Hydrogen Atom Transfer from a Diels-Alder Adduct to an Alkene," J. Am. Chem. Soc., 96, 5591 (1974).

28. K. N. Houk, Y.-M. Chang, and P. S. Engel: "Photoelectron Spectroscopy of Azo Compounds," J. Am. Chem. Soc., 97, 1824 (1975).

29. K. N. Houk: "The Frontier Molecular Orbital Theory of Cycloaddition Reactions," Acc. Chem. Res., 8, 361 (1975).

30. Y.-M. Chang, J. Sims, and K. N. Houk: "Mechanism of 1,3-Dipolar Cycloadditions to Highly Electron-Deficient Dipolarophiles," Tetrahedron Lett., 4445 (1975).

31. K. N. Houk: "Photochemistry and Spectroscopy of b,g-Unsaturated Carbonyl Compounds," Chem. Reviews, 76, 1 (1976).

32. K. N. Houk and L. L. Munchausen: "Ionization Potentials, Electron Affinities and Reactivities of Cyanoalkene Reactivities in Cycloadditions, Electrophilic, Nucleophilic, and Radical Reactions," J. Am. Chem. Soc., 98, 937 (1976).

33. P. D. Mollere, K. N. Houk, D. S. Bomse, and T. H. Morton: "Photoelectron Spectra of Sterically Congested Alkenes and Dienes," J. Am. Chem. Soc., 98, 4732 (1976).

34. C. Santiago and K. N. Houk: "A Molecular Orbital Model for Bridging Regioselectivity in Di-p-methane Rearrangements," J. Am. Chem. Soc., 98, 3380 (1976).

35. P. Caramella and K. N. Houk: "Geometries of Nitrilium Betaines. The Clarification of Apparently Anomalous Reactions of 1,3-Dipoles," J. Am. Chem. Soc., 98, 6397 (1976).

36. P. Caramella, G. Cellerino, A. Corsico Coda, A. Gamba Invernizzi, P. Grunanger, and K. N. Houk: "Selectivity in Cycloadditions. 5. Cycloadditions of Nitrile Oxides to Furan. Competing Mechanisms and Regiochemistry," J. Org. Chem., 41, 3349 (1976).

37. L. C. Dunn, Y.-M. Chang, and K. N. Houk: "The [6+4] Cycloadditions of Diethylaminobutadiene to Fulvenes. A New Synthesis of Azulenes," J. Am. Chem. Soc., 98, 7095 (1976).

38. C. Santiago, K. N. Houk, R. A. Snow, and L. A. Paquette: "Bridging Regioselectivity in Triplet-Sensitized Di-p-methane Photorearrangements of Ortho-Substituted Benzonorbornadienes. A Case for the Importance of Benzene HOMO and LUMO Polarization," J. Am. Chem. Soc., 98, 7443 (1976).

39. P. Caramella, R. W. Gandour, J. A. Hall, C. G. Deville, and K. N. Houk: "A Derivation of the Shapes and Energies of the Molecular Orbitals of 1,3-Dipoles. Geometry Optimizations of These Species by MINDO/2 and MINDO/3," J. Am. Chem. Soc., 99, 385 (1977).

40. E. J. McAlduff and K. N. Houk: "Photoelectron Spectra of Substituted Oxiranes and Thiiranes. Substituent Effects on Ionization Potentials Involving s Orbitals," Can. J. Chem., 55, 318 (1977).

41. K. N. Houk: "Applications of Frontier Molecular Orbital Theory to Pericyclic Reactions" in "Pericyclic Reactions," A. P. Marchand, R. E. Lehr; Eds., Academic Press, New York, 2, 181.

42. K. N. Houk, E. J. McAlduff, P. D. Mollere, R. W. Strozier, and Y.-M. Chang: "Linear Correlations Between the Ionization Potentials of Molecules and Changes in Ionization Potentials by Alkyl Groups," J. Chem. Soc., Chem. Comm., 141 (1977).

43. K. N. Houk, P. Caramella, L. L. Munchausen, Y.-M. Chang, A. Battaglia, J. Sims, and D. C. Kaufman: "Photoelectron Spectra of Nitrones and Nitrile Oxides," J. Electron Spectros, Related Phenomena, 10, 441 (1977).

44. P. D. Mollere and K. N. Houk: "Photoelectron Spectroscopy of Heterocyclobutanes: Electronic Structure of Small Ring Compounds and Ramifications for Reactivity," J. Am. Chem. Soc., 99, 3226 (1977).

45. L. N. Domelsmith and K. N. Houk: "Photoelectron Spectra of Cyclopentanone and Cyclohexane Enamines," Tetrahedron Lett., 1981 (1977).

46. S. E. Reiter, L. C. Dunn, and K. N. Houk: "Synthesis of Azulenes by the [6+4] Cycloadditions of 6-Aminofulvenes to Thiophene S,S-Dioxides," J. Am. Chem. Soc., 99, 4199 (1977).

47. L. N. Domelsmith and K. N. Houk: "The Photoelectron Spectra of Tetramethyldiazetine: The Elucidation of Ring Size Effects on Azo Group Ionization Potentials," Chem. Phys. Lett., 48, 471 (1977).

48. P. Caramella. L. N. Domelsmith, and K. N. Houk: "On the Dichotomy Between Cycloaddition Transition States Calculated by Semi-Empirical and Ab Initio Techniques," J. Am. Chem. Soc., 99, 4511 (1977).

49. L. N. Domelsmith, L. L. Munchausen, and K. N. Houk: "Photoelectron Spectra of Psychotropic Drugs. 1. Phenethylamines, Tryptamines and LSD," J. Am. Chem. Soc., 99, 4311 (1977).

50. L. N. Domelsmith, L. L. Munchausen, and K. N. Houk: "Lysergic Acid Diethylamide. Photoelectron Ionization Potentials as Indices of Behavioral Activity," J. Med. Chem., 20, 1346 (1977).

51. L. N. Domelsmith, L. L. Munchausen, and K. N. Houk: "Photoelectron Spectra of Psychotropic Drugs. 2. Phenothiazine and Related Tranquilizers," J. Am. Chem. Soc., 99, 6506 (1977).

52. K. N. Houk, A. Bimanand, D. Mukherjee, J. Sims, Y.-M. Chang, D. C. Kaufman, and L. N. Domelsmith: "Nitrone Ionization Potentials and Cycloaddition Regioselectivities," Heterocycles, 7, 293 (1977).

53. K. N. Houk and L. J. Luskus: "Cycloadditions of 2,5-Dimethyl-3,4- diphenylcyclopentadienone to Cyclooctene, Cyclooctadienes, and the 76.C Melting Dimer of Cyclooctatetraene," J. Org. Chem., 42, 4151 (1977).

54. K. N. Houk, Y.-M. Chang, R. W. Strozier, and P. Caramella: "Regioselectivity of Nitrile Oxide Cycloadditions to Electron-Deficient Dipolarophiles," Heterocycles, 7, 793 (1977).

55. L. N. Domelsmith, K. N. Houk, C. R. Degenhardt, and L. A. Paquette: "Photoelectron Spectra and Orbital Interactions in Methylenenor-triquinacenes," J. Am. Chem. Soc., 100, 100 (1978).

56. E. J. McAlduff, P. Caramella, and K. N. Houk: "Photoelectron Spectra of 3-Substituted Cyclopentenes. Correlations Between Ionization Potentials and Cycloaddition Regioselectivity," J. Am. Chem. Soc., 100, 105 (1978).

57. I.-M. Tegmo-Larsson and K. N. Houk: "The Periselectivity of Tropone Cycloadditions to Fulvenes," Tetrahedron Lett., 941 (1978).

58. C. Santiago, K. N. Houk, G. J. Decicco, and L. T. Scott: "The Photoelectron and Ultraviolet Spectra of Octamethylcyclodedeca-1,3,7,9-tetrayne; A Weakly Antiaromatic Molecule," J. Am. Chem. Soc., 100, 692 (1978).

59. D. Mukherjee, C. R. Watts, and K. N. Houk: "Periselectivity in the [4+2] and [6+4] Cycloadditions of Diphenylnitrilimine to Tropone," Can. J. Chem., 43, 817 (1978).

60. E. J. McAlduff, B. M. Lynch, and K. N. Houk: "Photoelectron Spectra of Substituted Benzamides," Can. J. Chem., 56, 495 (1978).

61. D. Mukherjee, L. N. Domelsmith, and K. N. Houk: "N-Cycloheptatrienylidene-methylamine Oxide: Synthesis, Electronic Spectra, and Cycloadditions of a Fulvenoid Dipole," J. Am. Chem. Soc., 100, 1954 (1978).

62. L. N. Domelsmith, P. D. Mollere, K. N. Houk, R. C. Hahn, and R. P. Johnson: "Photoelectron and Charge-Transfer Spectra of Benzobicycloalkenes. Relationships Between Through-space Interactions and Reactivity," J. Am. Chem. Soc., 100, 2959 (1978).

63. L. E. Overman, G. F. Taylor, K. N. Houk, and L. N. Domelsmith: "Diels-Alder Reactions Between Trans-1-N-acylamino-1,3-dienes and Methyl Acrylate. A Correlation Between Diene Photoelectron Ionization Potentials and Reactivity, Stereoselectivity, and Regioselectivity," J. Am. Chem. Soc., 100, 3182 (1978).

64. C. Santiago, R. W. Gandour, K. N. Houk, I. Nutakul, W. S. Cravey, and R. P. Thummel: "Photoelectron and Ultraviolet Spectra of Small-Ring Fused Aromatic Molecules as Probes of Aromatic Ring Distortions," J. Am. Chem. Soc., 100, 3730 (1978).

65. W. R. Dolbier Jr., C. Piedrahita, K. N. Houk, R. W. Strozier, and R. W. Gandour: "Cycloadditions of 1,1-Difluoroallene. A Novel Probe of Mechanism," Tetrahedron Lett., 2231 (1978).

66. P. Caramella, G. Cellerino, K. N. Houk, F. M. Albini, and C. Santiago: "Selectivity in Cycloadditions. 6. Cycloadditions of Nitrile Oxides to Benzofuran. Regioselectivity," J. Org. Chem., 43, 3006 (1978).

67. L. C. Dunn and K. N. Houk: "The Regioselectivity of [6+4] Cycloadditions of Dienamines to Fulvenes," Tetrahedron Lett., 3411 (1978).

68. C. Santiago, E. J. McAlduff, K. N. Houk, R. A. Snow, and L. A. Paquette: "Photoelectron Spectra of Ortho- and Meta-Substituted Benzonorbornadienes Relationships to Regioselectivities in Triplet Di-p-methane Rearrangements," J. Am. Chem. Soc., 100, 6149 (1978).

69. K. N. Houk: "Theory of Reactive Intermediates and Reaction Mechanisms" in "Reactive Intermediates," (M. Jones Jr., R. M. Moss; Editors), John Wiley & Sons, New York, 1, 279 (1978).

70. K. N. Houk, L. N. Domelsmith, R. W. Strozier, and R. T. Patterson: "Schizophrenic Substituents: The Origin of Anomalous Substituent Effects on Cycloaddition Regioselectivity," J. Am. Chem. Soc., 100, 6531 (1978).

71. L. N. Domelsmith, K. N. Houk, C. Piedrahita, and W. J. Dolbier Jr.: "The Photoelectron Spectrum of 1,1-Difluoroallene. On p-Electron Donation and Withdrawal by Fluorine," J. Am. Chem. Soc., 100, 6908 (1978).

72. L. N. Domelsmith and K. N. Houk: "Photoelectron Spectra of Psychotropic Drugs. III. Ionization Potentials and Partition Coefficients as Predictors of Substituted Amphetamine Psychoactivities," Int. J. Quantum Chem.: Quantum Biology Symposium, 5, 257 (1978).

73. L. N. Domelsmith and K. N. Houk: "Photoelectron Spectroscopic Studies of Hallucinogens: The Use of Ionization Potentials in QSAR," in "QuaSAR" Research Monograph 22, (G. Barnett, M. Trsic, R. Willette, Editors), National Institute on Drug Abuse, 423 (1978).

74. D. Mukherjee, L. C. Dunn, and K. N. Houk: "Efficient Guaiazulene and Chamazulene Syntheses Involving [6+4] Cycloadditions," J. Am. Chem. Soc., 101, 251 (1979).

75. C. Santiago, K. N. Houk, and C. L. Perrin: "On 'Anomalous' Selectivities in Aromatic Substitutions," J. Am. Chem. Soc., 101, 1337 (1979).

76. R. W. Strozier, P. Caramella, and K. N. Houk: "Influence of Molecular Distortions Upon Reactivity and Stereochemistry in Nucleophilic Additions to Acetylenes," J. Am. Chem. Soc., 101, 1340 (1979).

77. K. N. Houk: "Theoretical and Experimental Insights Into Cycloaddition Reactions," Topics in Current Chemistry, (Fortschritte der Chemischen Forschung), 79, 1 (1979).

78. G. M. Anderson III, P. A. Kollman, L. N. Domelsmith, and K. N. Houk: "Methoxy Group Nonplanarity in o-Dimethoxybenzenes. Simple Predictive Models for Conformations and Rotation Barriers in Alkoxyaromatics," J. Am. Chem. Soc., 101, 2344 (1979).

79. A. Battaglia, S. M. Shaw, C.-S. Hsue, and K. N. Houk: "Alkyl Substituent Effects on Rates of Arylnitrile Oxide Cycloadditions," J. Org. Chem., 44, 2800 (1979).

80. N. G. Rondan, L. N. Domelsmith, K. N. Houk, A. T. Bowne, and R. H. Levin: "The Relative Rates of Electron-Rich and Electron-Deficient Alkene Cycloadditions to Benzyne. Enhanced Electrophilicity as a Consequence of Alkyne Bending Distortions," Tetrahedron Lett., 3237 (1979).

81. R. A. Moss, M. Vezza, W. Guo, R. C. Munjal, K. N. Houk, and N. G. Rondan: "Reactivity of Cyclopropylchlorocarbene: An Interactive Experimental and Theoretical Analysis," J. Am. Chem. Soc., 101, 5088 (1979).

82. K. N. Houk, R. W. Strozier, C. Santiago, R. W. Gandour, and K. P. C. Vollhardt: "Electronic Structure and Photoelectron Spectrum of 1,5,9-Cyclododecatriyne," J. Am. Chem. Soc., 101, 5183 (1979).

83. K. N. Houk, R. W. Gandour, R. W. Strozier, N. G. Rondan, and L. A. Paquette: "On the Barriers to Thermally Allowed Reactions and the Elusiveness of Neutral Homoaromaticity," J. Am. Chem. Soc., 101, 6797 (1979).

84. A. Y. Ku, L. A. Paquette, M. D. Rozeboom, and K. N. Houk: "Polar Effects on Di-p-methane Rearrangements. Regiospecificity in the Triplet-Sensitized Photoisomerizations of 2-Cyanobenzonorbornadienes Carrying Methoxy ArylSubstituents," J. Am. Chem. Soc., 101, 5981 (1979).

85. L. A. Paquette, A. Y. Ku, C. Santiago, M. D. Rozeboom, and K. N. Houk: "Control of Regioselectivity in the Di-p-methane Triplet-Sensitized Photoisomerizations of Benzonorbornadienes Carrying Cyano Substituents in the Aryl and Vinyl Segments," J. Am. Chem. Soc., 101, 5972 (1979).

86. K. N. Houk, N. G. Rondan, C. Santiago, C. J. Gallo, R. W. Gandour, and G. W. Griffin: "Theoretical Studies of Structures and Reactions of Ylides," J. Am. Chem. Soc., 102, 1504 (1980).

87. N. G. Rondan, K. N. Houk, and R. A. Moss: "Transition States and Selectivities of Singlet Carbene Cycloadditions," J. Am. Chem. Soc., 102, 1770 (1980).

88. K. N. Houk, R. W. Strozier, N. G. Rondan, R. R. Fraser, and N. Chuaqui-Offermanns: "Stabilities of Stereoisomeric Imine Anions," J. Am. Chem. Soc., 102, 1426 (1980).

89. L. T. Scott, M. D. Rozeboom, K. N. Houk, T. Fukunaga, H. J. Lindner, and K. Hafner: "The Quinones of Azulene: A Theoretical Prognosis," J. Am. Chem. Soc., 102, 5169 (1980).

90. W. A. St. Cyr, L. N. Domelsmith, and K. N. Houk: "Experimental Approaches to the Date of Origin of Koopmans' Theorem," Journal of Irreproducible Results, 26, 23 (1980).

91. K. N. Houk: "Molecular Distortions and Organic Reactivity: Additions, Cycloadditions, and Free Radical Reactions," in "Frontiers of Free Radical Chemistry," (W. A. Pryor, Editor) Academic Press, NY, 43 (1980).

92. P. H. Mazzocchi, B. Stahly, J. Dodd, N. G. Rondan, L. N. Domelsmith, M. D. Rozeboom, P. Caramella, and K. N. Houk: "p-Facial Stereoselectivity: Rates and Stereoselectivities of Cycloadditions of Hexachlorocyclopentadiene to 7-Substituted Norbornadienes, and Photoelectron Spectral and Molecular Orbital Computational Investigations of Norbornadienes," J. Am. Chem. Soc., 102, 6482 (1980).

93. M. N. Paddon-Row, C. Santiago, and K. N. Houk: "The Possibility of p-Electron-Donation by the Electron-Withdrawing Substituents CN, CHO, CF3, and +NH3,"J. Am. Chem. Soc., 102, 6561 (1980).

94. M. D. Rozeboom, I.-M. Tegmo-Larsson, and K. N. Houk: "Frontier Molecular Orbital Theory of Substituent Effects on Regioselectivity of Nucleophilic Additions and Cycloadditions to Benzoquinones and Naphthoquinones," J. Org. Chem., 46, 2338 (1981).

95. R. R. Fraser, N. Chuaqui-Offermans, K. N. Houk, and N. G. Rondan: "Configuration and Conformation of Lithiated Imines by DNMR Studies and Ab Initio Calculations," J. Organometallic Chem., 206, 131 (1981).

96. N. G. Rondan and K. N. Houk: "Geometries and Rotational Barriers of Alkylamides and Lithium Alkylamides," Tetrahedron Lett., 22, 921 (1981).

97. T. Tezuka, O. Kikuchi, K. N. Houk, M. N. Paddon-Row, C. M. Santiago, N. G. Rondan, J. C. Williams Jr., and R. W. Gandour: "A Sudden Polarization Model to Predict Regioselectivities and Periselectivities of the 1,7-Sigmatropic Shifts and Electrocyclizations of Singlet Excited States of Cycloheptatrienes," J. Am. Chem. Soc., 103, 1367 (1981).

98. K. N. Houk, J. C. Williams Jr., P. A. Mitchell, and K. Yamaguchi: "Conformational Control of Reactivity and Regioselectivity in Singlet Oxygen Ene Reactions: Relationship to the Rotational Barriers of Acyclic Alkylethylenes," J. Am. Chem. Soc., 103, 949 (1981).

99. M. N. Paddon-Row and K. N. Houk: "The Origin of the Pyramidalization of the tert-butyl Radical," J. Am. Chem. Soc., 103, 5046 (1981).

100. N. G. Rondan, M. N. Paddon-Row, P. Caramella, and K. N. Houk: "Nonplanar Alkenes and Carbonyls: A Molecular Distortion which Parallels Addition Steroselectivity," J. Am. Chem. Soc., 103, 2436 (1981).

101. P. Caramella, N. G. Rondan, M. N. Paddon-Row, and K. N. Houk: "Origin of p-Facial Stereoselectivity in Additions to p-Bonds: The Generality of the Anti-Periplanar Effect," J. Am. Chem. Soc., 103, 2438 (1981).

102. P. Caramella and K. N. Houk: "The Influence of Electron-Withdrawing Substituents on the Geometries and Barriers to Inversion of Vinyl Anions," Tetrahedron Lett., 22, 819 (1981).

103. P. H. Mueller, N. G. Rondan, K. N. Houk, J. F. Harrison, D. F. Hooper, B. H. Willen, and J. F. Liebman: "Carbene Singlet-Triplet Gaps: Linear Correlations with Substituent p-Donation," J. Am. Chem. Soc., 103, 5049 (1981).

104. K. Yamaguchi, T. Fueno, I. Saito, T. Matsuura, and K. N. Houk: "On the Concerted Mechanism of the Ene Reaction of Singlet Molecular Oxygen with Olefins. An Ab Initio MO Study," Tetrahedron Lett., 22, 749 (1981).

105. M. N. Paddon-Row, H. K. Patney, R. S. Brown, and K. N. Houk: "Observation of a Very Large Orbital Interaction Through Four Bonds. An Alternative Model of Orbital Interactions Through Bonds," J. Am. Chem. Soc., 103, 5575 (1981).

106. N. G. Rondan, K. N. Houk, P. Beak, W. J. Zajdel, J. Chandrasekhar, and P. v. R. Schleyer: "Dipole Stabilization of a-Heteroatom Carbanions: Theory and Experiment," J. Org. Chem., 46, 4108 (1981).

107. I.-M. Tegmo-Larsson, M. D. Rozeboom, and K. N. Houk: "Regioselectivities of Diels-Alder Cycloadditions to Methoxy-Substituted Quinones," Tetrahedron Lett., 22, 2043 (1981).

108. I.-M. Tegmo-Larsson, M. D. Rozeboom, N. G. Rondan, and K. N. Houk: "Quinone Cycloaddition Regioselectivity: On the Mechanisms of Regioselectivity Control by Donor Substituents on Electrophilic Alkenes," Tetrahedron Lett., 22, 2047.

109. R. A. Moss, W. Guo, D. Z. Denney, K. N. Houk, and N. G. Rondan: "Selectivity of (Trifluoromethyl)chlorocarbene," J. Am. Chem. Soc., 103, 6164 (1981).

110. T. Clark, P. v. R. Schleyer, K. N. Houk, and N. G. Rondan: "Structures of a-Lithiomethanol and a-Lithiomethylamine: An Ab Initio Study," J. Chem. Soc., Chem. Comm., 579 (1981).

111. K. Yamaguchi, S. Yabushita, T. Fueno, and K. N. Houk: "On the Mechanism of Photooxygenation Reactions. Computational Evidence Against the Diradical Mechanism of Singlet Oxygen Ene Reactions," J. Am. Chem. Soc., 103, 5043 (1981).

112. T. Tezuka, O. Kikuchi, and K. N. Houk: "Prediction of Directional Selectivity of Photoreactions by Molecular Orbital Theory," Yuki Gosei Kagaku (in Japanese), 39, 701 (1981).

113. I.-M. Tegmo-Larsson, M. D. Rozeboom, N. G. Rondan, and K. N. Houk: "On the Mechanism of Regioselectivity Control by Donor Substituents on Electrophilic Alkenes: Applications to Quinone Cycloaddition Regioselectivity," Tetrahedron Lett., 22, 2047 (1981).

114. M. N. Paddon-Row, K. N. Houk, P. Dowd, P. Garner, and R. Schappert: "Synchronized Distortions of Bicyclobutanes," Tetrahedron Lett., 4799 (1981).

115. L. N. Domelsmith, T. A. Eaton, K. N. Houk, G. A. Anderson III, R. A. Glennon, A. T. Shulgin, N. Castagnoli Jr., and P. A. Kollman: "Photoelectron Spectra of Psychotropic Drugs. 6. Relationships Between Physical Properties and Pharmacological Actions of Amphetamine Analogues," J. Med. Chem., 24, 1414 (1981).

116. S. Nagase and K. N. Houk: "Internal Lithium Coordination by a p-Bond in 7-Lithionorbornadiene," Tetrahedron Lett., 23, 19 (1982).

117. M. N. Paddon-Row, K. N. Houk, and T. T. Tidwell: "The Magnitude of Destabilization of Stabilized Cations by Cyano and Trifluoromethyl Groups," Tetrahedron Lett., 23, 383 (1982).

118. Y. N. Gupta, S. R. Mani, and K. N. Houk: "Synthesis of Azulene from 6-Acyloxyfulvenes," Tetrahedron Lett., 23, 495 (1982).

119. K. N. Houk, R. W. Strozier, M. D. Rozeboom, and S. Nagase: "Syn and Anti Transition States in the Addition of Ammonia to Cyanoacetylene. Formation of a Stable Zwitterionic Intermediate," J. Am. Chem. Soc., 104, 323 (1982).

120. L. A. Paquette, E. Bay, A. Y. Ku, N. G. Rondan, and K. N. Houk: "Regioselectivities in the Di-p-methane Photorearrangement of 2-Methylbenzonorbornadienes Carrying Methoxy- and Cynanoaryl-Substitutents. The Vinyl Methyl Effect," J. Org. Chem., 47, 422 (1982).

121. M. N. Paddon-Row, N. G. Rondan, K. N. Houk, and K. D. Jordan: "Geometries of the Radical Anions of Ethylene, Fluoroethylene, 1,1-Difluoroethylene and Tetrafluoroethylene," J. Am. Chem. Soc., 104, 1143 (1982).

122. M. D. Rozeboom and K. N. Houk: "Stereospecific Alkyl Group Effects on Amine Lone-Pair Ionization Potentials: Photoelectron Spectra of Alkylpiperidines," J. Am. Chem. Soc., 104, 1189 (1982).

123. M. D. Rozeboom, K. N. Houk, S. Searles, and S. E. Seyedrazai: "Photoelectron Spetroscopy of N-Aryl Cyclic Amines. Variable Conformations and Relationships to Gas and Solution Phase Basicities," J. Am. Chem. Soc., 104, 3448 (1982).

124. T. E. Kline, F. Benington, R. D. Morin, J. M. Beaton, R. A. Glennon, L. N. Domelsmith, K. N. Houk, and M. D. Rozeboom: "Structure-Activity Relationships for Hallucinogenic N,N Dialkyltryptamines: Photoelectron Spectra and Serotonin Receptor Affinities of Methylthio and Methylenedioxy Derivatives," J. Med. Chem., 25, 1381 (1982).

125. E. Haselbach, L. Neuhaus, R. P. Johnson, K. N. Houk, and M. N. Paddon-Row: "p-Orbital Interactions in Mobius Type Molecules as Studied by Photoelectron Spectroscopy," Helvetica Chimica Acta, 65, 1743 (1982).

126. K. N. Houk: "Theory of Cycloadditions of Excited Aromatics to Alkenes," Pure & Appl. Chem., 54, 1633 (1982).

127. N. G. Rondan, M. N. Paddon-Row, P. Caramella, J. Mareda, P. H. Mueller, and K. N. Houk: "Origin of Huisgen's Factor "x": Staggering of Allylic Bonds Promotes Anomalously Rapid Exo attack on Norbornenes," J. Am. Chem. Soc., 104, 4974 (1982).

128. L. T. Scott, I. Erden, W. R. Brunsvold, K. N. Houk, and M. N. Paddon-Row: "Competitive [6+2], [4+2], and [2+2] Cycloadditions. An Experimental Classification of Two-Electron Cycloaddends," J. Am. Chem. Soc., 104, 3659 (1982).

129. M. N. Paddon-Row, N. G. Rondan, and K. N. Houk: "Staggered Models for Asymmetric Induction: Attack Trajectories and Conformations of Allylic Bonds from Ab Initio Structures of Addition Reactions," J. Am. Chem. Soc., 104, 7162 (1982).

130. Y. N. Gupta, M. J. Doa, and K. N. Houk: "Intramolecular [6+4] Cycloadditions: Intramolecular Control of Periselectivity," J. Am. Chem. Soc., 104, 7336 (1982).

131. A. Z. Bimanand, Y. N. Gupta, M. J. Doa, T. A. Eaton, K. N. Houk, and F. R. Fronczek: "Competition Between Endocyclic and Exocyclic Periselectivity in Cycloadditions of o-Xylylenes to Fulvenes," J. Org. Chem., 48, 403 (1983).

132. P. H. Mueller, N. G. Rondan, K. N. Houk, J. E. Gano, and M. S. Platz: "The Triplet Ground State of Di-tert-Butylcarbene," Tetrahedron Lett., 24, 485 (1983).

133. A. Z. Bimanand and K. N. Houk: "The Synthesis and Cycloadditions of C-Cyclopropyl Nitrones," Tetrahedron Lett., 24, 435 (1983).

134. K. N. Houk: "Theoretical Studies of the Stereoselectivities of Organic Reactions," Pure & Appl. Chem., 55, 277 (1983).

135. T. A. Eaton, K. N. Houk, S. F. Watkins, and F. R. Fronczek: "Geometries and Conformational Processes in Phencyclidine and a Rigid Adamantyl Analogue: Variable-Temperature NMR, X-ray Crystallographic, and Molecular Mechanics Studies," J. Med. Chem., 26, 479 (1983).

136. K. N. Houk, M. N. Paddon-Row, and N. G. Rondan: "The Origin of Syn Stereoselectivity in the SN2' Reaction," J. Mol. Struct. (Theochem), 103, 197 (1983).

137. K. N. Houk, N. G. Rondan, M. N. Paddon-Row, C. W. Jefford, P. T. Huy, P. D. Burrow, and K. D. Jordan: "Ionization Potentials, Electron Affinities, and Molecular Orbitals of 2-Substituted Norbornadienes. Theory of 1,2- and Homo-1,4-Carbene Cycloaddition Selectivities," J. Am. Chem. Soc., 105, 5563 (1983).

138. K. N. Houk, N. G. Rondan, and F. K. Brown: "Electronic Structures and Reactivities of Pyramidal Alkenes and Carbonyls," Israel J. Chem., 23, 3 (1983).

139. T.-C. Wu, J. Mareda, Y. N. Gupta, and K. N. Houk: "Selective Intramolecular [6+4] Cycloadditions of Aminodienylfulvenes," J. Am. Chem. Soc., 105, 6996 (1983).

140. K. N. Houk, N. G. Rondan, F. K. Brown, W. L. Jorgensen, J. D. Madura, and D. C. Spellmeyer: "Electronic Origins and Consequences of Pyramidalization of Asymmetric Alkenes in Ground and Triplet Excited States," J. Am. Chem. Soc., 105, 5980 (1983).

141. E. Vedejs, D. A. Perry, K. N. Houk, and N. G. Rondan: "Regiochemistry in Thiocarbonyl Diels-Alder Additions: Reversal of Selectivity by Substituent Effects in Thioaldehydes," J. Am. Chem. Soc., 105, 6999 (1983).

142. C.-Y. Liu, J. Mareda, and K. N. Houk: "Intramolecular [8+2] Cycloadditions of Alkenylheptafulvenes," J. Am. Chem. Soc., 105, 6714 (1983).

143. J. Mareda, N. G. Rondan, and K. N. Houk: "Transition Structure for the Reaction of a Carbenoid, LiCH2F, with Ethylene," J. Am. Chem. Soc., 105, 6997 (1983).

144. K. N. Houk and K. Yamaguchi: "Theory of 1,3-Dipolar Cycloadditions" in "1,3-Dipolar Cycloadditions," (A. Padwa, Editor) John Wiley & Sons, Inc., NY, 2, 407 (1984).

145. K. N. Houk: "Theoretical Studies of Alkene Pyramidalizations and Addition Stereoselectivities," in "Stereochemistry and Reactivity of Systems Containing p Electrons," (W. H. Watson, Editor) Verlag Chemie International, Dearfield Beach, FL, 1 (1984).

146. N. G. Rondan and K. N. Houk: "Ab Initio Transition Structures for 1,5-Sigmatropic Hydrogen Shifts of 1,3-Pentadiene and Cyclopentadiene," Tetrahedron Lett., 24, 2519 (1984).

147. P. Caramella, F. M. Albini, D. Vitali, N. G. Rondan, Y.-D. Wu, T. R. Schwartz, and K. N. Houk: "Stereoselectivities of Benzonitrile Oxide Cycloadditions to cis-Disubstituted Cyclopentenes and Dihydrofurans," Tetrahedron Lett., 25, 1875 (1984).

148. K. N. Houk, N. G. Rondan, Y.-D. Wu, J. T. Metz, and M. N. Paddon-Row: "Theoretical Studies of Stereoselective Hydroborations," Tetrahedron, 12, 2257 (1984).

149. K. N. Houk, S. R. Moses, Y.-D. Wu, N. G. Rondan, V. Jager, R. Schohe, and F. R. Fronczek: "Stereoselective Nitrile Oxide Cycloadditions to Chiral Allyl Ethers and Alcohols. The 'Inside Alkoxy' Effect," J. Am. Chem. Soc., 106, 3880 (1984).

150. M. E. Garst, V. A. Roberts, K. N. Houk, and N. G. Rondan: "'Even' Regioselectivity in [6+4] Cycloadditions of Unsymmetrical Tropones with Dienes," J. Am. Chem. Soc., 106, 3882 (1984).

151. K. N. Houk, N. G. Rondan, and J. Mareda: "Are p Complexes Intermediates in Halocarbene Cycloadditions?," J. Am. Chem. Soc., 106, 4291 (1984).

152. K. N. Houk and N. G. Rondan: "Origin of Negative Activation Energies and Entropy Control of Halocarbene Cycloadditions and Related Fast Reactions," J. Am. Chem. Soc., 106, 4293 (1984).

153. D. A. Dixon, R. A. Eades, R. Frey, P. G. Gassman, M. L. Hendewerk, M. N. Paddon-Row, and K. N. Houk: "Theoretical Evaluation of the Effect of Electron-Withdrawing Substituents on Carbocation Stabilities. Delocalization of Charge to the Carbonyl and Cyano Groups," J. Am. Chem. Soc., 106, 3885 (1984).

154. F. K. Brown and K. N. Houk: "The STO-3G Transition Structure of the Diels-Alder Reaction," Tetrahedron Lett., 41, 4609 (1984).

155. N. G. Rondan and K. N. Houk: "Transition Structures for the Reaction of Difluorocarbene with Propene," Tetrahedron Lett., 52, 5965 (1984). (4 pages)

156. W. Kirmse, N. G. Rondan, and K. N. Houk: "Stereoselective Substituent Effects on Conrotatory Electrocyclic Reactions of Cyclobutenes," J. Am. Chem. Soc. , 106, 7989 (1984).

157. P. v. R. Schleyer, T. Clark, A. J. Kos, G. W. Spitznagel, C. Rohde, D. Arad, K. N. Houk, and N. G. Rondan: "Structures and Stabilities of a-Hetero-Substituted Organolithium and Organosodium Compounds. Energetic Unimportance of Second-Row d-Orbital Effects," J. Am. Chem. Soc., 106, 6467 (1984).

158. G. A. Jeffrey, K. N. Houk, M. N. Paddon-Row, N. G. Rondan, and J. Mitra: "Pyramidalization of Carbonyl Carbons in Asymmetric Environments: Carboxylates, Amides, and Amino Acids," J. Am. Chem. Soc., 107, 321 (1985).

159. Y.-T. Lin and K. N. Houk: "Intramolecular Diels-Alder Reactions of 1,3,8-Nonatriene and 1,3,9-Decatriene," Tetrahedron Lett., 19, 2269 (1985).

160. T.-C. Wu and K. N. Houk: "Intramolecular Diels-Alder Reactions of Dienamines with Acrylates: Trends in Stereoselectivity upon Substitution," Tetrahedron Lett., 19, 2293 (1985).

161. F. K. Brown and K. N. Houk: "The Influence of Substitutent Induced Asynchronicity on the Stereochemistries of Intramolecular Diels-Alder Reactions," Tetrahedron Lett., 26, 2297 (1985).

162. F. K. Brown and K. N. Houk: "Torsional and Steric Control of Stereoselectivity in Isodicyclopentadiene Cycloadditions," J. Am. Chem. Soc., 107, 1971 (1985).

163. N. G. Rondan and K. N. Houk: "Theory of Stereoselection in Conrotatory Electrocyclic Reactions of Substituted Cyclobutenes," J. Am. Chem. Soc., 107, 2099 (1985).

164. K. N. Houk, N. G. Rondan, P. v. R. Schleyer, E. Kaufman, and T. Clark: "Transition Structures for Additions of LiH and MeLi to Ethylene and Acetylene," J. Am. Chem. Soc., 107, 2821 (1985).

165. K. N. Houk, N. G. Rondan, and J. Mareda: "Theoretical Studies of Halocarbene Cycloaddition Selectivities," Tetrahedron, 41, 1555 (1985).

166. Y.-T. Lin and K. N. Houk: "Intramolecular Diels-Alder Reactions of Ethyl 2,4,9-Decatrienoate and 2,4,10-Undecatrienoate," Tetrahedron Lett., 26, 2517 (1985).

167. Y. N. Gupta and K. N. Houk: "Diels-Alder Cycloaddition of Tetrachlorothiophene-S,S-Dioxide to Azulene," Tetrahedron Lett., 22, 2607 (1985).

168. T.-C. Wu and K. N. Houk: "Construction of Linearly Fused Tricyclopentanoids by Intramolecular [6+2] Cycloadditions of Fulvenes with Enamines," J. Am. Chem. Soc., 107, 5308 (1985).

169. E. Kaufman, P. v. R. Schleyer, K. N. Houk, and Y.-D. Wu: "Ab Initio Mechanisms for the Addition of CH3Li, HLi, and Their Dimers to Formaldehyde," J. Am. Chem. Soc., 107, 5560 (1985).

170. M. N. Paddon-Row and K. N. Houk: "Conformational Dependence of the Pyramidalization of Alkyl Radicals," J. Phys. Chem., 89, 3771 (1985).

171. M. N. Paddon-Row, D. J. Fox, J. A. Pople, K. N. Houk, and D. W. Pratt: "Dynamic Jahn-Teller Effects in CH4+. Location of the Transition Structures for Hydrogen Scrambling and Inversion," J. Am. Chem. Soc., 107, 7696 (1985).

172. K. N. Houk, L. T. Scott, N. G. Rondan, D. C. Spellmeyer, G. Reinhardt, J. L. Hyun, G. J. DeCicco, R. Weiss, M. H. M. Chen, L. S. Bass, J. Clardy, F. S. Jorgensen, T. A. Eaton, V. Sarkozi, C. M. Petit, L. Ng, and K. D. Jordan: "Pericyclynes: 'Exploded Cycloalkanes' with Unusual Orbital Interactions and Conformational Properties. MM2 and STO-3G Calculations, X-ray Crystal Structures, Photoelectron Spectra, and Electron Transmission Spectra," J. Am. Chem. Soc., 107, 6556 (1985).

173. K. N. Houk, R. A. Firestone, L. L. Munchausen, P. H. Mueller, B. H. Arison, and L. A. Garcia: "Stereospecificity of 1,3-Dipolar Cycloadditions of p-Nitrobenzonitrile Oxide to cis- and trans-Dideuterioethylene," J. Am. Chem. Soc., 107, 7227 (1985).

174. S. D. Kahn, H. J. Hehre, N. G. Rondan, and K. N. Houk: "Nature of the Migrating Group in 1,5-Sigmatropic Hydrogen Shifts," J. Am. Chem. Soc. , 107, 8291 (1986).

175. Y. N. Gupta, R. T. Patterson, A. Z. Bimanand, and K. N. Houk: "Synthesis of an Azulene Lactone by an Intramolecular [6+4] Cycloaddition," Tetrahedron Lett., 27, 295 (1986).

176. P. Magnus, J. Schultz, and K. N. Houk: "Diversion of an Intramolecular [2+4] Cycloaddition Reaction Into a [2+2] Pathway by Electrophilic Catalysis," Tetrahedron Lett., 27, 655 (1986).

177. W. E. Billups, K. N. Houk, and R. V. Stevens: "Stereochemistry and Reaction Mechanism," in "Investigations of Rates and Mechanisms of Reactions," (F. Bernasconi, Editor) John Wiley and Sons, Inc, NY, 6, 663 (1986).

178. K. N. Houk, M. N. Paddon-Row, N. G. Rondan, Y.-D. Wu, F. K. Brown, D. C. Spellmeyer, J. T. Metz, Y. Li, and R. J. Loncharich: "Theory and Modeling of Stereoselective Organic Reactions," Science, 231, 1108 (1986).

179. K. N. Houk, Y.-T. Lin, and F. K. Brown: "Evidence for the Concerted Mechanism of the Diels-Alder Reaction of Butadiene with Ethylene," J. Am. Chem. Soc., 108, 554 (1986).

180. K. N. Houk, H.-Y. Duh, Y.-D. Wu, and S. R. Moses: "Steric Models for Stereoselectivity of Nitrile Oxide Cycloadditions to Chiral Alkenes," J. Am. Chem. Soc., 108, 2754 (1986).

181. K. N. Houk and M. N. Paddon-Row: "Transition Structures for C- and O-Alkylation of Acetaldehyde Enolate. Stereoelectronic Effects and C/O Alkylation Ratios," J. Am. Chem. Soc., 108, 2659 (1986).

182. K. N. Houk, M. N. Paddon-Row, D. C. Spellmeyer, N. G. Rondan, and S. Nagase: "Theoretical Transition Structures for Radical Additions to Alkenes," J. Org. Chem., 51, 2874 (1986).

183. D. A. Smith, K. Sakan, and K. N. Houk: "Stereoselectivities of Thermal and Lewis Acid Catalyzed Intramolecular Diels-Alder Reactions of Internally Activated Dienophiles to Form 5-11 Membered Rings," Tetrahedron Lett., 27, 4877, (1986). (4 pages)

184. C.-Y. Liu, D. A. Smith, and K. N. Houk: "An Intramolecular [8+6] Cycloaddition," Tetrahedron Lett., 27, 4881, (1986).

185. W. Kirmse, K. Kund, E. Ritzer, A. E. Dorigo, and K. N. Houk: "Dramatic Differences in Intramolecular Reactivities of Singlet Arylcarbenes and Benzyl Cations," J. Am. Chem. Soc., 108, 6045, (1986).

186. S. Masamune, R. M. Kennedy, J. S. Petersen, K. N. Houk, and Y.-D. Wu: "Organoboron Compounds in Organic Synthesis 3. Mechanism of Asymmetric Reduction of Dialkyl Ketones with (R,R)-2,5-Dimethylborolane," J. Am. Chem. Soc., 108, 7404 (1986).

187. R. J. Loncharich, T. R. Schwartz, and K. N. Houk: "Theoretical Studies of Conformations of Acrolein, Acrylic Acid. Methyl Acrylate, and Their Lewis Acid Complexes," J. Am. Chem. Soc., 109, 14, (1987).

188. K. N. Houk and Yun-dong Wu: "Theory of Stereoselectivity of Nucleophilic Additions to Carbonyl Compounds" in "Stereochemistry of Organic and Bioorganic Transformations" (W. Bartmann, K. B. Sharpless; Editors), VCH Verlagsgesellschaft mbH, D-6940 Weinheim, West Germany, 7, 247 (1987).

189. Y.-D. Wu and K. N. Houk: "Transition Structures for Hydride Transfers," J. Am. Chem. Soc., 109, 906, (1987).

190. Y.-D. Wu and K. N. Houk: "Electronic and Conformational Effects on p-Facial Stereoselectivity in Nucleophilic Additions to Carbonyl Compounds," J. Am. Chem. Soc., 109, 908, (1987).

191. C.-Y. Liu and K. N. Houk: "Intramolecular [8+2] Cycloaddition and 10p-Electron Electrocyclization Reactions of an 8-Acylheptafulvene," Tetrahedron Lett., 28, 1367 (1987).

192. C.-Y. Liu and K. N. Houk: "Dependence of the Stereochemistries of Intramolecular [8+2] Cycloadditions of Alkenylheptafulvenes on Tetraenophile Stereochemistry," Tetrahedron Lett., 28, 1371 (1987).

193. A. E. Dorigo and K. N. Houk: "Transition Structures for Intramolecular Hydrogen Atom Transfers: The Energetic Advantage of Seven-Membered Over Six-Membered Transition Structures," J. Am. Chem. Soc., 109, 2195 (1987).

194. Y.-D. Wu and K. N. Houk: "Theoretical Transition Structures for Hydride Transfer to Methyleneiminium Ion from Methylamine and Dihydropyridine. On the Non-Linearity of Hydride Transfers," J. Am. Chem. Soc., 109, 2226 (1987).

195. D. C. Spellmeyer and K. N. Houk: "A Force-Field Model for Intramolecular Radical Additions," J. Org. Chem., 52, 959 (1987).

196. F. Jensen and K. N. Houk: "Correlated Transition Structure for the 1,5-Sigmatropic Hydrogen Shift," J. Am. Chem. Soc., 109, 3139 (1987).

197. D. P. Curran, B. H. Kim, H. P. Piyasena, R. J. Loncharich, and K. N. Houk: "Asymmetric Induction in Nitrile Oxide Cycloadditions to Optically Active Acrylates. Comparisons of Acrylate Conformations in Thermal and Acid-Catalyzed 1,3-Dipolar and Diels-Alder Cycloaddition Transition States," J. Org. Chem., Vol. 52, 2137 (1987).

198. A. E. Dorigo and K. N. Houk: "On the Origin of Proximity Effects on Reactivity: A Modified MM2 Model for the Rates of Acid Catalyzed Lactonizations of Hydroxyacids," J. Am. Chem. Soc., 109, 3698 (1987), and Additions and Corrections: A. E. Dorigo and K. N. Houk: "On the Origin of Proximity Effects on Reactivity: A Modified MM2 Model for the Rates of Acid Catalyzed Lactonizations of Hydroxyacids," J. Am. Chem. Soc., 110, 4878 (1988). (1 page)

199. F. K. Brown, K. N. Houk, D. J. Burnell, and Z. Valenta: "Modeling of Steric Control of Facial Stereoselectivity. Diels-Alder Cycloadditions of Unsymmetrically Substituted Cyclopentadienes," J. Org. Chem., 52, 3051 (1987).

200. K. Rudolf, D. C. Spellmeyer, and K. N. Houk: "Prediction and Experimental Verification of the Stereoselective Electrocyclization of 3-Formylcyclobutene," J. Org. Chem., 52, 3708 (1987).

201. Y.-D. Wu, K. N. Houk, and B. M. Trost: "Origin of Enhanced Axial Attack by Sterically Undemanding Nucleophiles on Cyclohexenones," J. Am. Chem Soc., 109, 5560 (1987).

202. A. E. Dorigo, D. W. Pratt, and K. N. Houk: "Origin of Methyl Conformational Preferences and Rotational Barriers in the Ground States, Excited Triplet States, Radical Cations, and Radical Anions of Molecules Having CH3-C=X Functionalities," J. Am. Chem. Soc., 109, 6591 (1987).

203. R. J. Loncharich and K. N. Houk: "Transition Structure of Ene Reactions of Ethylene and Formaldehyde with Propene," J. Am. Chem. Soc., 109, 6947 (1987).

204. Hewawasam Piyasena, Y. N. Gupta, Debabrata Mukherjee, and K. N. Houk: "Intramolecular Diels-Alder Reactions of Unsaturated Acylcyclopentadienes and Cyclopentadienecarboxylates," Tetrahedron Lett., 29, 135 (1988).

205. K. N. Houk and R. S. Sustmann: "Rolf Huisgen and the 1,3-Dipolar Cycloaddition," Huisgen 65th Birthday Vol., G. Boche, Ed., 1988.

206. Xuebao Wang and K. N. Houk: "Theoretical Elucidation of the Origin of the Acidity of Meldrum's Acid," J. Am. Chem. Soc., 110, 1870 (1988).

207. Robert L. Vance, Nelson G. Rondan, K. N. Houk, Frank Jensen, Weston Thatcher Borden, Andrew Komornicki, and Erich Wimmer: "Transition Structures for the Claisen Rearrangement," J. Am. Chem. Soc., 110, 2314 (1988).

208. Richard Loncharich and K. N. Houk: "Transition Structures for Homodienyl 1,5-Sigmatropic Hydrogen Shifts: Origin of the High Endo Stereoselectivity," J. Am. Chem. Soc., 110, 2089 (1988).

209. A. E. Dorigo and K. N. Houk: "On the Relationship Between Proximity and Reactivity. An Ab initio Study of the Flexibility of the OHo + CH4 Hydrogen Abstraction Transition State, and a Force-Field Model for the Transition States of Intramolecular Hydrogen Abstractions," J. Org. Chem., 53, 1650 (1988).

210. K. N. Houk, David C. Spellmeyer, Charles W. Jefford, C. G. Rimbault, Ying Wang, and R. D. Miller: "Electronic Control of the Stereoselectivities of Electrocyclic Reactions of Cyclobutenes Against Incredible Steric Odds," J. Org. Chem., 53, 2125 (1988).

211. Andrea E. Dorigo and K. N. Houk: "Proximity Effects on Organic Reactivity: Development of Force Fields from Quantum Chemical Calculations, and Applications to the Study of Organic Reaction Rates" in "Advances in Molecular Modeling," Vol. 1, pg. 135-187.

212. Debabrata Mukherjee, Yun-Dong Wu, Frank R. Fronczek, and K. N. Houk: "Experimental Tests of Models To Predict Nucleophilic Addition Stereochemistries," J. Am. Chem. Soc., 110, 3328 (1988).

213. David C. Spellmeyer and K. N. Houk: "Transition Structures of Pericyclic Reactions. Electron Correlation and Basis Set Effects on the Transition Structure and Activation Energy of the Electrocyclization of Cyclobutene to Butadiene," J. Am. Chem. Soc., 110, 3412 (1988).

214. Yi Li, Michael N. Paddon-Row, and K. N. Houk: "Transition Structures of Aldol Reactions," J. Am. Chem. Soc., 110, 3684 (1988).

215. K. Yamaguchi, Y. Takahara, T. Fueno, and K. N. Houk: "Extended Hartree-Fock (EHF) Theory of Chemical Reactions," Theoretica Chemica Acta, 73, 337 (1988).

216. R. J. Loncharich, E. Seward, S. B. Ferguson, F. K. Brown, F. Diederich, and K. N. Houk: "On the Origin of Cavity-Filling Conformations of Macrocycles: A 1H NMR Spectroscopic and Force-Field Computational Study," J. Org. Chem., 53, 3479 (1988).

217. Klaus Rudolf, Joel M. Hawkins, Richard J. Loncharich, and K. N. Houk: "Force-Field Modeling of Stereoselective Michael Additions of an Optically Active Amine and Its Lithium Amide to Acrylates," J. Am. Chem. Soc., 53, 3879 (1988).

218. D. J. Cram, J. Weiss, R. C. Helgeson, C. B. Knobler, A. E. Dorigo, and K. N. Houk: "Design Synthesis and Comparison of Crystal, Solution and Calculated Structures within a new Family of Cavitands," JCS Chem. Commun., 406 (1988).

219. K. Yamaguchi, F. Jensen, A. Dorigo, and K. N. Houk: "A Spin Correction Procedure for Unrestricted Hartree-Fock and Moller-Plesset Wavefunctions for Singlet Diradicals and Polyradicals," Chem. Phys. Lett., 149, 537-542 (1988).

220. W. T. Borden, R. J. Loncharich, and K. N. Houk: "Synchronicity in Multibond Reactions," Ann. Rev. Phys. Chem., 39, 213 (1988).

221. G. Stork, R. L. Polt, Yi Li, and K. N. Houk: "Theoretical Studies of the Lithiation of Enamines," J. Am. Chem. Soc., 110, 8360 (1988).

222. Günter Hömberger, Andrea E. Dorigo, Wolfgang Kirmse, and K. N. Houk: "Rapid Intramolecular Addition Reactions of Triplet Arylcarbenes," J. Am. Chem. Soc., 111, 475 (1989).

223. Yi Li and K. N. Houk: "Transition Structures for the Allylboration Reactions of Formaldehyde by Allylborane and Allylboronic Acid," J. Am. Chem. Soc., 111, 1236 (1989).

224. Lorenzo Dal Bo, Marco De Amici, Carlo De Micheli, Remo Gandolfi, and K. N. Houk: "Stereoselectivities of Mesitonitrile Oxide Cycloadditions to 7-Substituted Norbornadienes," Tetrahedron Lett., 30, 807 (1989).

225. R. J. Loncharich, F. K. Brown, and K. N. Houk: "Transition Structures of the Diels-Alder Reaction of Butadiene with Acrolein," J. Org. Chem., 54, 1129 (1989).

226. K. N. Houk: "Stereoselective Electrocyclizations and Sigmatropic Shifts of Strained Rings: Torquoelectronics!" in "Strain and Its Implications in Organic Chemistry," (A. de Meijere and S. Blechert, Editors), 25 (1989).

227. K. N. Houk: "Ab Initio and Empirical Computations of Mechanism and Stereoselectivity," Pure & Appl. Chem., 61, 643 (1989).

228. Michael D. Miller, Frank Jensen, O. L. Chapman, and K. N. Houk: "The Influence of Basis Sets and Electron Correlation on Theoretically Predicted Infrared Intensities," J. Phys. Chem., 93, 4495 (1989).

229. Yi Li and K. N. Houk: "Theoretical Assessments of the Basicity and Nucleophilicity of Carboxylate Syn and Anti Lone Pairs," J. Am. Chem. Soc., 111, 4505 (1989).

230. Andrzej B. Buda, Ying Wang, and K. N. Houk: "Acid-Base Controlled Torquoselectivity: Theoretical Predictions of the Stereochemical Course of the Electrocyclic Reactions of Cyclobutene-3-carboxylic Acid and the Conjugate Base and Acid," J. Org. Chem., 54, 2264 (1989).

231. Yi Li, Rudolph A. Abramovitch, and K. N. Houk: "Relationship of Conformational Effects in Phenyloxenium and Phenylnitrenium Cations to Intramolecular Reactivities. Ab Initio Electronic Structures," J. Org. Chem., 54, 2911 (1989).

232. David C. Spellmeyer, K. N. Houk, Nelson G. Rondan, R. D. Miller, Lothar Franz, and G. N. Fickes: "Experimental and Theoretical Studies of Substituent Effects on an Orbital Symmetry Forbidden Electrocyclization," J. Am. Chem. Soc., 111, 5356 (1989).

233. Andrea E. Dorigo, Yi Li, and K. N. Houk: "Theoretical Studies of the Rotational Barriers of Benzyl Cation, Radical and Anion, and of Singlet and Triplet Phenylcarbene," J. Am. Chem. Soc., 111, 6942 (1989).

234. Andrea E. Dorigo, K. N. Houk, and Theodore Cohen: "Unexpected Regioselectivity in the Reductive Cleavage of Epoxides: A Theoretical Rationalization," J. Am. Chem. Soc., 111, 8976 (1989).

235. François Diederich, Yves Rubin, Carolyn B. Knobler, Robert L. Whetten, Kenneth E. Schriver, Kendall N. Houk, and Yi Li: "All-Carbon Molecules: Evidence for the Generation of Cyclo[18]carbon from a Stable Organic Precursor," Science, 245, 1088 (1989).

236. K. N. Houk, Richard J. Loncharich, James F. Blake, and William L. Jorgensen: "Substituent Effects and Transition Structures for Diels-Alder Reactions of Butadiene and Cyclopentadiene with Cyanoalkenes," J. Am. Chem. Soc., 111, 9172 (1989).
237. E. Adam Kallel and K. N. Houk: "Theoretical Predictions of Torquoselectivity in Pentadienyl Cation Electrocyclizations," J. Org. Chem., 54, 6006 (1989).

238. J. D. Evanseck, J. Mareda, and K. N. Houk: "A Theoretical Investigation of Intramolecular 1,4- and 1,2-Carbene Cycloadditions," J. Am. Chem. Soc., 112, 73 (1990).

239. Yi Li, Michael N. Paddon-Row, and K. N. Houk: "Transition Structures for the Aldol Reactions of Anionic, Lithium, and Boron Enolates," J. Org. Chem., 55, 481 (1990).

240. Martin Saunders, K. N. Houk, Yun-Dong Wu, W. Clark Still, Mark Lipton, George Chang, and Wayne C. Guida: "Conformations of Cycloheptadecane. A Comparison of Methods for Conformational Searching," J. Am. Chem. Soc., 112, 1419 (1990).

241. Yi Li, Yves Rubin, Françios Diederich, and Kendall N. Houk: "Electronic and Structural Properties of the Cyclobutenodehydroannulenes," J. Am. Chem. Soc., 112, 1618 (1990).

242. Xuebao Wang and K. N. Houk: "Carbenoid Character in Transition Structures for Reactions of Ketenes with Alkenes," J. Am. Chem. Soc., 112, 1754 (1990).

243. David A. Hrovat, Weston Thatcher Borden, Robert L. Vance, Nelson G. Rondan, K. N. Houk, and Keiji Morokuma: "Ab Initio Calculations of the Effects of Cyano Substituents on the Cope Rearrangement," J. Am. Chem. Soc., 112, 2018 (1990).

244. Yun-Dong Wu, K. N. Houk, and James A. Marshall: "Transition Structure for the [2,3]-Wittig Rearrangement and Analysis of Stereoselectivities," J. Org. Chem., 55, 1421 (1990).

245. K. N. Houk, John A. Tucker, and Andrea E. Dorigo: "Quantitative Modeling of Proximity Effects on Organic Reactivity," Acc. Chem. Res., 23, 107 (1990).

246. Xuebao Wang, Yi Li, Yun-Dong Wu, Michael N. Paddon-Row, Nelson G. Rondan, and K. N. Houk: "Ab Initio Transition Structures for Hydroborations of Alkenes, Allenes, and Alkynes by Borane, Diborane, Methylborane, Methylfluoroborane, and Dimethylborane," J. Org. Chem., 55, 2601 (1990).

247. Yi Li, Xuebao Wang, Frank Jensen, K. N. Houk, and George A. Olah: "Energies and Properties of Ions Involved in Electrophilic Halogenations: Singlet and Triplet States of Halogen Cations (X+, X3+, and X42+) and Hydrohalonium Ions (HX2+ and H2X+)," J. Am. Chem. Soc., 112, 3922 (1990).

248. David M. Birney and K. N. Houk: "Transition Structures of the Lewis Acid Catalyzed Diels-Alder Reaction of Butadiene with Acrolein. The Origins of Selectivity," J. Am. Chem. Soc., 112, 4127 (1990).

249. Yun-Dong Wu, W. Kirmse, and K. N. Houk: "Geminal Group Interactions," J. Am. Chem. Soc., 112, 4557 (1990).

250. Yun-Dong Wu and K. N. Houk: "Theoretical Studies of Rotational Barriers of Heteroatom Derivatives of Methanol," J. Phys. Chem., 94, 4856 (1990).

251. Kunio Sakan, Stefan A. Babirad, Douglas A. Smith, and K. N. Houk: "Alkaline Hydrolysis of Some Erythronolide A Derivatives," Tetrahedron Lett., 26, 3687 (1990).

252. John A. Tucker, K. N. Houk, and Barry M. Trost: "Computational Modeling of Stereoselectivity in the Diels-Alder Reactions of Dienol Esters of O-Methylmandelic Acid and the Question of p-Stacking," J. Am. Chem. Soc., 112, 5465 (1990).

253. J. D. Evanseck and K. N. Houk: "Theoretical Predictions of Activation Energies for 1,2-Hydrogen Shifts in Singlet Carbenes," J. Phys Chem., 94, 5518 (1990).

254. Ying Wang, Debabrata Mukherjee, David Birney, and K. N. Houk: "Synthesis and Reactions of Ester-Substituted Fulvenes. A New Route to D9(12)-Capnellene," J. Org. Chem., 55, 4504 (1990).

255. E. Adam Kallel, Ying Wang, David C. Spellmeyer, and K. N. Houk: "Electrocyclic Ring Openings of Dialkylcyclobutenes: Anomalies Explained," J. Am. Chem. Soc., 112, 6759 (1990).

256. Andrea E. Dorigo, M. E. McCarrick, Richard J. Loncharich, and K. N. Houk: "Transition Structures for Hydrogen Atom Transfers to Oxygen. Comparisons of Intermolecular and Intramolecular Processes, and Open- and Closed-Shell Systems," J. Am. Chem. Soc., 112, 7508 (1990).

257. Stephen S. Wong, Michael N. Paddon-Row, Yi Li, and K. N. Houk: "Transition Structures for Conjugate and Carbonyl Additions of Cyanide to s-cis and s-trans-Acrolein. An ab Initio MO Study," J. Am. Chem. Soc., 112, 8679 (1990).

258. J. D. Evanseck and K. N. Houk: "Stereoselectivity of Hydrogen 1,2-Shifts in Singlet Alkylcarbenes: A Quantitative Theoretical Assessment of Ground-State Orbital Alignment and Torsional and Steric Effects," J. Am. Chem. Soc., 112, 9148 (1990).

259. K. N. Houk, Paul H. Mueller, Yun-Dong Wu, Paul H. Mazzocchi, David Shook, and Frederick Khachik: "Cycloadditions of Hexachlorocyclopentadiene to 7-Substituted Norbornadienes: Remote Substituent Effects on Reactivity and Stereoselectivity," Tet. Lett., 31, 7285 (1990).

260. K. N. Houk, Yun-Dong Wu, Paul H. Mueller, Pierluigi Caramella, Michael N. Paddon-Row, Shigeru Nagase, and Paul H. Mazzocchi: "Theory of Rates and Stereoselectivities of Cycloadditions to 7-Substituted Norbornadienes," Tet. Lett., 31, 7289 (1990).

261. Charles W. Jefford, Ying Wang, and K. N. Houk: "Assignment of the Configuration of Disubstituted 1,3-Dienes by Nuclear Overhauser Effect Measurements," J. Org. Chem., 56, 856 (1991).

262. Douglas A. Smith and K. N. Houk: "LiBF4: A Mild Lewis Acid for Intramolecular Diels-Alder Reactions," Tet. Lett., 32, 1549 (1991).

263. Yun-Dong Wu and K. N. Houk: "Theoretical Evaluation of Conformational Preferences of NAD+ and NADH: An Approach to Understanding the Stereospecificity of NAD+/NADH-Dependent Dehydrogenases," J. Am. Chem. Soc., 113, 2353 (1991).

264. Kunio Sakan, Douglas A. Smith, Stefan A. Babirad, Frank R. Fronczek, and K. N. Houk: "Stereoselectivities of Intramolecular Diels-Alder Reactions. Formation of the Taxane Skeleton," J. Org. Chem., 56, 2311 (1991).

265. J. L. Broeker and K. N. Houk: "MM2 Model for the Intramolecular Additions of Acyl-Substituted Radicals to Alkenes," J. Org. Chem., 56, 3651 (1991).

266. Yun-Dong Wu, K. N. Houk, Josefa Florez, and Barry M. Trost: "Theoretical Studies of Stereoselectivities of Nucleophilic 1, 2~Additions to Cyclohexenones. Transition Structures and Force-Field Models for Metal Hydride and Keteniminate Additions to Ketones," J. Org. Chem., 56, 3656 (1991).

267. Hendrik Zipse, Jianing He, K. N. Houk, and Bernd Giese: "On the Transition States of Electrophilic Radical Additions to Alkenes," J. Am. Chem. Soc., 113, 4324 (1991).

268. Jeffrey L. Broeker, Reinhard W. Hoffmann, and K. N. Houk: "Conformational Analysis of Chiral Alkenes and Oxonium Ions: Ab Initio Molecular Orbital Calculations and an Improved MM2 Force Field," J. Am. Chem. Soc., 113, 5006 (1991).

269. Yun-Dong Wu, John A. Tucker, and K. N. Houk: "Stereoselectivities of Nucleophilic Additions to Cyclohexanones Substituted by Polar Groups. Experimental Investigation of Reductions of trans-Decalones and Theoretical Studies of Cyclohexanone Reductions. The Influence of Remote Electrostatic Effects," J. Am. Chem. Soc., 113, 5018 (1991).

270. Yi Li, Robin L. Garrell, and K. N. Houk: "Mechanism of Cis-Trans Isomerizations of Amide and Peptide Excited States," J. Am. Chem. Soc., 113, 5895 (1991).

271. Yun-Dong Wu and K. N. Houk: "Theoretical Studies of Transition Structures and Stereoselectivities of the [2,3]-Wittig Rearrangement of Sulfur Ylides," J. Org. Chem., 56, 5657 (1991).

272. Victoria Alcázar Montero, Laura Tomlinson, K. N. Houk, and François Diederich: "Selective a, w-Dicarboxylic Acid Recognition in a Chiral Cleft Shaped by the 9,9'-Spirobifluorene Unit," Tet. Lett., 32, 5309 (1991).

273. Margaret A. Mc Carrick, Yun-dong Wu, and K. N. Houk: "Exo-Lone-Pair Effect on Hetero-Diels-Alder Cycloaddition Stereochemistry," J. Am. Chem. Soc., 114, 4, (1992).

274. Joey W. Storer and K. N. Houk: "Is Triquinacene Homoaromatic? An MM3 Study of Triquinacene and its Hydrogenation Products," J. Am. Chem. Soc., 114, 1165-1168. (1992).

275. Yung-Dong Wu and K. N. Houk: "Ab Initio Calculations on Potential Intermediates in Metal Reductions of Carbonyl Compounds. Stereochemical Considerations," J. Am. Chem. Soc., 114, 1656-61 (1992).

276. Y.-D. Wu, Y. Wang, and K. N. Houk: "A New Model for the Stereoselectivities of Dihydroxylations of Alkenes by Chiral Diamine Complexes of Osmium Tetroxide," J. Org. Chem., 57, 1362-69 (1992).

277. Y.-D. Wu, K. N. Houk, J. S. Valentine, and W. Nam: "Is Intramolecular Hydrogen-Bonding Important for Bleomycin Reactivity? A Molecular Mechanics Study," Inorg. Chem., 31, 718-20 (1992).

278. Satomi Niwayama and K. N. Houk: "Competition Between Ester and Formyl Groups for Control of Torquoselectivity in Cyclobutene Electrocyclic Reactions," Tet. Lett., 33, 883-886 (1992).

279. Bert E. Thomas IV, R. J. Loncharich, and K. N. Houk: "Force Field Modeling of Transition Structures of Ene Reactions and Ab Initio Transition Structures for an Activated Enophile," J. Org. Chem. 57, 1354-62 (1992).

280. Javier González and K. N. Houk: "Ab Initio Transition Structures for Diels-Alder Reactions of 2-Azabutadiene with Alkenes and Alkynes: Effects of Substituents, the Aza Group, and Catalysis on Reactivity ," J. Org. Chem., 57, 3031-37 (1992).

281. Charles W. Jefford, Gerald Bernardinelli, Ying Wang, David C. Spellmeyer, Andrzej Buda, and K. N. Houk: "Torquoselectivity in the Electrocyclic Conversion of Benzocylobutenes to o-Xylylenes," J. Am. Chem. Soc., 114, 1157-1165 (1992).

282. William L. Jorgensen, Toan B. Nguyen, Elizabeth M. Sanford, Ito Chao, K. N. Houk, and François Diederich: "Enhanced View of Structure and Binding for Cyclophane-Arene Complexes through Joint Theoretical and Experimental Study," J. Am. Chem. Soc., 114, 4003-4 (1992).

283. François Diederich, David B. Smithrud, Elizabeth M. Sanford, Tara B. Wyman, Stephen B. Ferguson, Daniel R. Carcanague, Ito Chao, and K. N. Houk: "Solvent Effects in Molecular Recognition," Acta Chem. Scan., 46, 205-215 (1992).

284. Laura Raimondi, Frank K. Brown, Javier Gonzalez, and K. N. Houk: "Empirical Force-Field Models for the Transition of Intramolecular Diels-Alder Reactions Based Upon ab initio Transition Structures," J. Am. Chem. Soc., 114, 4796 (1992).

285. Javier Gonzalez, E. C. Taylor, and K. N. Houk: "Why Are Isoxazoles Unreactive in Diels-Alder Reactions? An ab Initio Computational Study," J. Org. Chem., 57, 3753-55 (1992).

286. K. N. Houk, Yi Li, and J. D. Evanseck, "Transition Structures of Hydrocarbon Pericyclic Reactions," Angew. Chemie, 104, 711-739 (1992), Int. Ed. Engl., 31, 682-708 (1992).

287. Frank K. Brown, Laura Raimondi, Yun-dong Wu, and K. N. Houk: "A Force Field Model for the Transition Structures of Intramolecular Nitrile Oxide Cycloadditions," Tet. Lett., 33, 4405-4408 (1992).

288. Bert E. Thomas IV and K. N. Houk: "Theoretical Structures of Methylenecyclopropane-2-Carboxamide and Related Three-Membered Rings with Exocyclic Unsaturation. The Origin of a Ground State Distortion," J. Org. Chem., 57, 4437-4440 (1992).

289. Laura Raimondi, Yun-dong Wu, Frank K. Brown, and K. N. Houk: "The 'Inside Alkoxy Effect' in Intramolecular Nitrile Oxide Cycloadditions: Ab Initio and Force Field Modeling," Tet. Lett., 33., 4409-4412 (1992).

290. Frank K. Brown, U. Chandra Singh, Peter A. Kollman, Laura Raimondi, K. N. Houk, and Charles W. Bock: "A Theoretical Study of Intramolecular Diels-Alder and 1,3-Dipolar Cycloaddition Stereoselectivity Using ab initio Methods, Semiempirical Methods, and a Tandem Quantum Mechanics-Molecular Mechanics Method," J. Org. Chem., 57, 4862-4869 (1992).

291. W. Damm, B. Giese, J. Hartrung, T. Hasskerl, K. N. Houk, O. Huter, and H. Zipse: "Diastereofacial Selectivity in Reactions of Substituted Cyclohexyl Radicals. An Experimental and Theoretical Study," J. Am. Chem. Soc., 114, 4067-4079 (1992).

292. Yun-dong Wu, K. N. Houk, and M. N. Paddon-Row: "Effect of Torsional Strain and Electrostatic Interactions on the Stereochemistry of Nucleophilic Additions to Cyclohexanone and Related Systems," Angew. Chem. Int. Ed. Engl., 31, 1019-1021 (1992).

293. K. N. Houk, Susan M. Gustafson, and Kersey A. Black: "Theoretical Secondary Kinetic Isotope Effects and the Interpretation of Transition State Geometries. 1. The Cope Rearrangement," J. Am. Chem. Soc., 114, 8565-8572 (1992).

294. M. N. Paddon-Row, Yun-dong Wu, and K. N. Houk: "Electrostatic Control of the Stereochemistry of Nucleophilic Additions Substituted 7-Norbornanones," J. Am. Chem. Soc., 114, 10638-10639, (1992).

295. Frank A. L. Anet, Darón I. Freedberg, Joey W. Storer, and K. N. Houk: "On the Potential Energy Surface for Ring Inversion in Cyclohexene and Related Molecules," J. Am. Chem. Soc., 114, 10969-10971 (1993).

296. Bert E. Thomas IV and K. N. Houk: "Tuning Exo/Endo Stereoselectivity in Ene Reactions," J. Am. Chem. Soc., 115, 790-792 (1993).

297. John E. Eksterowicz and K. N. Houk: "Transition Structures for Radical Hydrogen Abstractions and Lithium Hydride Additions: Similitudes and Divarications," Tet. Lett., 34, 427-430 (1993).

298. Yun-Dong Wu and K. N. Houk: "Theoretical Study of Conformational Features of NAD+ and NADH Analogs: Protonated Nicotinamide and 1,4-Dihydronicotinamide," J. Org. Chem., 58, 2043-2045 (1993).

299. Bert E. Thomas IV, J. D. Evanseck, and K. N. Houk: "Electrocyclic Reactions of 1-Substituted 1,3,5,7-Octatetraenes. An ab Initio Molecular Orbital Study of Torquoselectivity in Eight-Electron Electrocycylizations," J. Am. Chem. Soc., 115, 4165-4169 (1993).

300. K. N. Houk, John E. Eksterowicz, Yun-dong Wu, Christopher D. Fugelsang, and Darren B. Mitchell: "Conformational Preferences of the O-C-C-C Unit in Acyclic and Cyclic Systems. The Exo-Deoxoanomeric Effect and Related Phenomena," J. Am. Chem. Soc., 115, 4170-4177 (1993).

301. Keepyung Nahm, Yi Li, Jeffrey D. Evanseck, K. N. Houk, and Christopher S. Foote: "Structures and Energies of Intermediates in the Reactions of Singlet Oxygen with Organic Phosphines and Sulfides," J. Am. Chem. Soc., 115, 4879-4884 (1993).

302. Margaret A. McCarrick, Yun-dong Wu, and K. N. Houk: "Hetero-Diels-Alder Reaction Transition Structures: Reactivity, Stereoselectivity, Catalysis, Solvent Effects, and the exo-Lone-Pair Effect," J. Org. Chem., 58, 3330-3343 (1993).

303. Kensuke Nakamura and K. N. Houk: "Theoretical Study of Mechanism and Stereoselectivity of the Ring Opening of Formyloxirane," Heterocycles, 35, 631-634 (1993).

304. Robert R. Fraser, Fanzui Kong, Maria Stanciulescu, Yun-dong Wu, and K. N. Houk: "Experimental and Theoretical Studies of Acid-Catalyzed 18O Exchange Rates of Conformationally Rigid Ketones. Is the Antiperiplanar Effect Important?" J. Org. Chem., 58, 4431-4440 (1993).

305. Satomi Niwayama and K. N. Houk: "Lewis Acid Reversal of the Torquoselectivity of the Electrocyclic Ring Opening of 3-Acetylcyclobutene," Tet. Lett., 34, 1251-1254 (1993).

306. Yun-dong Wu, Yi Li, Jim Na, and K. N. Houk: "Reagent-Specific Electrostatic Effects on Electrophilic ?-Facial Stereoselectivity. Interpretation of the Stereochemical Variation of Electrophilic Additions to 7-Isopropylidenebenzonobornenes," J. Org. Chem., 58, 4625-4628 (1993).

307. Yi Li and K. N. Houk: "Diels-Alder Dimerization of 1,3-Butadiene: An ab Initio CASSCF Study of the Concerted and Stepwise Mechanisms and Butadiene-Ethylene Revisited," J. Am. Chem. Soc., 115, 7478-7485 (1993).

308. J. Na, K. N. Houk, C. G. Shevlin, K. D. Janda, and R. A. Lerner: "The Energetic Advantage of 5-Exo Versus 6-Endo Epoxide Openings - A Preference Overwhelmed by Antibody Catalysis," J. Am. Chem. Soc., 115, 8453-8454 (1993).

309. V. E. Gouverneur, K. N. Houk, B. De Pascual-Teresa, B. Beno, K. D. Janda, and R. A. Lerner: "Control of the Exo-Pathway and Endo-Pathway of the Diels Alder Reaction by Antibody Catalysis," Science, 262, 204-208 (1993).

310. Joey W. Storer and K. N. Houk: "Origin of Anomalous Kinetic Parameters in Carbene 1,2-Shifts by Direct Dynamics," J. Am. Chem. Soc., 115, 10426-7 (1993).

311. Yun-dong Wu and K. N. Houk: "Theory of Gas-Phase and Solution Stereoselectivities of Hydride Reductions of Cyclohexanone Derivatives by Silicon Hydrides," J. Am. Chem. Soc., 115, 10992-10993 (1993).

312. John E. Eksterowitz and K. N. Houk: "Transition-State Modeling with Empirical Force Fields," Chem. Rev., 93, 2439-2461 (1993).

313. Takashi Takahashi, Makoto Nakazawa, Yasuharu Sakamoto, and K. N. Houk: "A (3+2)-Cycloaddition Approach to 1a, 2b, 25-Trihydroxyvitamin D3 A Ring Synthon.,"Tet. Lett., 34, 4075-4078 (1993).

314. Y. D. Wu and K. N. Houk: "Theoretical Studies of the Hydration of Metaphosphate with One, Two and Three Molecules of Water," J. Am. Chem. Soc., 115, 11997-12002 (1993).

315. B. E. Thomas, J. D. Evanseck, and K. N. Houk: "Transition Structures of the Electrocyclic Reactions of cis,cis,cis-1,2,3-Cyclooctatriene," Israel Journal of Chemistry, 33, 287-293 (1993).

316. M. M. Gugelchuk and K. N. Houk: "Stereoselective Organometallic Reactions - A Force Field Study of Pi-Allyl Intermediates in Nickel(0) - Catalyzed Cycloadditions," J. Am. Chem. Soc., 116, 330-339 (1994).

317. B. De Pascual-Teresa and K. N. Houk: "Stereoselectivities of Thermal and Lewis Acid Catalyzed Diels-Alder Reactions of 1,2,2-Trimethylpropyl Acrylate with Cyclopentadiene," Tetradedron Lett., 35, 231-232 (1994).

318. S. Niwayama, K. N. Houk, and T. Kusumi: "Competition Between Carbomethoxy and Carboxyl in Electrocyclic Opening of a 3,3-Disubstituted Cyclobutene," Tetrahedron Lett., 35, 527-530 (1994).

319. Michael J. Martinelli, Barry C. Peterson, Vien V. Khau, Darrell R. Hutchinson, M. Robert Leanna, James E. Audia, James J. Droste, Yun-dong Wu, and K. N. Houk: "Stereoselective Epoxidations and Electrophilic Additions to Partial Ergot Alkaloids and Conformationally-Fixed Styrenes. Experimental and Theoretical Modeling Evidence for the Importance of Torsional Steering as a Stereocontrol Element," J. Org. Chem., 59, 2204-2210 (1994).

320. K. Mikami, T. Uchida, T. Hirano, Y. D. Wu, and K. N. Houk: "Different Transition Structures for [2,3]-Wittig Rearrangements of Stabilized and Unstabilized Allyloxy Methylanions - Rationale for the Dichotomous Sense of Stereoselection," Tetrahedron, 50, 5917-5926 (1994).

321. K.N. Houk, Yi Li, J. W. Storer, L. Raimondi, and B. Beno: "Concerted and Stepwise Mechanisms in Cycloaddition Reactions: Potential Surfaces and Isotope Effects,"J. Chem. Soc. Faraday Trans., 90, 1599-1604 (1994).

322. K. N. Houk: "General Discussion. Symposium on Potential-Energy Surface and Organic Reaction Paths. Oxford, December 15-17, 1993." J. Chem. Soc. Faraday Trans., 90, 1605-1616, (1994).

323. J. W. Storer, L. Raimondi, and K. N. Houk: "Theoretical Secondary Kinetic Isotope Effects and the Interpretation of Transition State Geometries. 2. The Diels-Alder Reaction Transition State Geometry," J. Am. Chem. Soc., 116, 9675-9683 (1994).

324. K. P. Eurenius and K.N. Houk: "Rational vs. Random Parameters in Transition State Modeling: MM2 Transition State Models for Intramolecular Hydride Transfers," J. Am. Chem. Soc., 116, 9943-9946 (1994).

325. O. Wiest, K. A. Black, and K. N. Houk: "Density Functional Theory Isotope Effects and Activation Energies for Cope and Claisen Rearrangements," J. Am. Chem. Soc., 116, 10336-10337 (1994).

326. Jeffrey D. Evanseck, K. N. Houk, James M. Briggs, and William L. Jorgensen: "Quantification of Solvent Effects on the Acidities of Z and E Esters from Fluid Simulations," J. Am. Chem. Soc., 116, 10630-10638 (1994).

327. K. N. Houk, Yi Li, M. A. McAllister, George O'Doherty, Leo A. Paquette, Willem Siebrand, and Zorka K. Smededarchina: "Mechanistic Analysis of Double Hydrogen Dyotropy in syn-Sesquinobornene Disulfones. A Combined Kinetic and Theoretical Evaluation of Primary Deuterium Isotope Effects," J. Am. Chem. Soc., 116, 10895-10913 (1994).

328. Jeffrey D. Winkler, Sanghee Kim, Kevin R. Condroski, Amparo Asensio, and K. N. Houk: "Stereoselective Synthesis of Polycyclic Ring Systems via the Tandem Diels-Alder Reaction," J. Org. Chem., 59, 6879-6881 (1994).

329. M. A. Garcia-Garibay, S. H. Shin, I. Chao, S. I Khan, and K. N. Houk: "Solid-State C-13 CPMAS NMR and Molecular Mechanics Study of Conformational Recognition in Mixed Crystals of 2-Phenylalkyl Ketones," Chemistry of Materials, 6 , 1267-1306 (1994).

330. O. Wiest and K. N. Houk: "On the Transition State of the Chorismate-Prephenate Rearrangement," J. Org. Chem., 59, 7582-7584 (1994).

331. K. N. Houk: "Theory of Acids and Bases. I. Relationships between Structure and Acidity and Basicity. II. Theory of Medium Effects on Acidity and Basicity." in "Acidity and Basicity of Solids: Theory, Assessment, and Utility," J. Fraissard, L. Petrakis, Ed., Kluwer, Dordrecht, 1994.

332. Hi Young Yoo and K. N. Houk: "Transition Structures and Kinetic Isotope Effects for the Claisen Rearrangement," J. Am. Chem. Soc., 116, 12047-12048 (1994).

333. K. N. Houk, J. Gonzalez, and Yi Li: "Pericyclic Reaction Transition States: Passions and Punctilios, 1935-1995," Accounts Chem. Research, 28, 81-90 (1995).

334. K. Nakamura and K. N. Houk: "Substituent Effects on Torquoselectivity. Computational Investigations of the Thermal Ring Openings of Cyclobutenes Fused to Substituted Cyclohexenes," J. Org. Chem. 60, 686-691 (1994).

335. Kensuke Nakamura and K. N. Houk: "Mechanism and Thermodynamics of Guest Escape from a Carcerand," J. Am. Chem. Soc., 117, 1853-1854 (1994).

336. Jeffrey L. Broeker, Anna J. Belk, John E. Eksterowicz, and K. N. Houk: "The Origin of Regioselectivity in Photocycloadditions of Triplet Cyclohexenones to Alkenes," J. Am. Chem. Soc., 117, 1847-1848 (1995).

337. Leif P. Olson, Yi Li, K. N. Houk, A. Jerry Kresge, and Lawrence J. Schaad: "Theoretical Analysis of Secondary Kinetic Isotope Effects in C-N Rotation of Amides," J. Am. Chem. Soc., 117, 2992-2997 (1995).

338. Dietmar A. Plattner and K. N. Houk: "C18 is a Polyyne," J. Am. Chem. Soc., 117, 15, 4405-4406 (1995).

339. B. De Pascual-Teresa, J. Gonzalez, A. Asensio, and K. N. Houk: "Ab Initio-Based Force Field Modeling of the Transition States and Steroselectivities of Lewis Acid-Catalyzed Asymmetric Diels-Alder Reactions," J. Am. Chem. Soc., 117, 4347-4356 (1995).

340. Yun-Dong Wu, David K. W. Lai, and K. N. Houk: "Transition Structures of Hydride Transfer Reactions of Protonated Pyridinium Ion with 1,4-Dihydropyridine and Pronoted Nicotinamide with 1,4 -Dihydronicotinamide," J. Am. Chem. Soc., 117, 4100-4108 (1995).

341. James M. Coxon, K. N. Houk, and Richard T. Luibrand: "Factors which Control p-Facial Selection in the Reduction of 5-Substituted Adamantanones," J. Org. Chem., 60, 418-427 (1995).

342. Hiroaki Sasai, Takayoshi Arai, Yoshinori Satow, K. N. Houk, and Masakatsu Shibasaki: "The First Hetero-Bimetallic Multifunctional Asymmetric Catalyst," J. Am. Chem. Soc., 117, 6194-6198 (1995).

343. Satomi Niwayama, Ying Wang, and K. N. Houk: "The Torquoselectivity of Electrocyclic Reactions of 3-Donor-3-Acceptor-Substituted Cyclobutenes," Tetrahedron Letters, 36, 6201-6204 (1995).

344. O. Wiest, K. N. Houk, K. A. Black, and B. Thomas IV: "Secondary Kinetic Isotope Effects of Diastereotopic Protons in Pericylic Reactions: A New Mechanistic Probe," J. Am. Chem. Soc., 117, 8594-8599 (1995).

345. Dietmar A. Plattner, Yi Li, and K. N. Houk: "Modern Computational and Theoretical Aspects of Acetylene Chemistry," in "Modern Acetylene Chemistry," F. N. Diedrich and P. J. Stang, Ed., VCH, Weinheim, Germany, 1995.

346. J. D. Evanseck, B. E. Thomas IV, D. C. Spellmeyer, and K. N. Houk: "Transition Structures of Thermally Allowed Disrotatory Electrocyclizations. The Prediction of Stereoselective Substituent Effects in Six-Electron Pericyclic Reactions," J. Org. Chem., 60, 7134-7141 (1995).

347. Emanuel Vogel, Martin Bröring, Jürgen Fink, Daniel Rosen, Hans Schmickler, Johann Lex, Kyle W. K. Chan, Yun-Dong Wu, Dietmar A. Plattner, Maja Nendel, and K. N. Houk: "From Porphyrin Isomers to Octapyrrolic 'Figure Eight' Macrocycles," Angew. Chemie, 107, 2705-2709 (1995), Int. Ed. Engl., 34 , 2511-2514 (1995).

348. Martin Bröring, Jörg Jendrny, Lars Zander, Hans Schmickler, Johann Lex, Yun-Dong Wu, Maja Nendel, Jiangang Chen, Dietmar A. Plattner, K. N. Houk, and Emanuel Vogel: "Octaphyrin-(1.0.1.0.1.0.1.0.)," Angew. Chemie, 107, 2709-2711 (1995), Int. Ed. Engl., 34 , 2515-2517 (1995).

349. H. Zipse, G. Apaydin, and K. N. Houk: "A Quantum Mechanical and Statistical Mechanical Exploration of the Thermal Decarboxylation of Kemp's Other Acid (Benzisoxazole-3-carboxylic Acid). The Influence of Solvation on the Transition State Geometries and Kinetic Isotope Effects of a Reaction with an Awesome Solvent Effect," J. Am. Chem. Soc., 117, 8608-8617 (1995).

350. Olaf Wiest and K. N. Houk: "Stabilization of the Transition State of the Chorismate-Prephenate Rearrangement: An ab Initio Study of Enzyme and Antibody Catalysis," J. Am. Chem. Soc., 117, 11628-11639 (1995).

351. Yi Li and K. N. Houk: "The Dimerization of Cyclobutadiene. An ab Initio CASSCF Theoretical Study," J. Am. Chem. Soc., 118, 880-885 (1996).

352. Leif P. Olson, Satomi Niwayama, Hi Young Yoo, K. N. Houk, Nathan J. Harris, and Joseph J. Gajewski: "Secondary Deuterium Kinetic Isotope Effects in the Rotations of Alkenes and Allyl Radicals: Theory and Experiment," J. Am. Chem. Soc., 118, 886-892 (1996).

353. Satomi Niwayama, Ying You, K. N. Houk, and Saeed I. Khan: "Two Isoxazolidines," Acta. Cryst, 52, 486-489 (1996).

354. Yun-Dong Wu, Jeehiun K. Lee, K. N. Houk, and Alessandro Dondoni: "Theoretical Study of a Termolecular Mechanism for the Reaction of (Trimethylsilyl) thiazole with Carbonyl Compounds," J. Org. Chem., 61, 1922-1926 (1996).

355. Satomi Niwayama, E. Adam Kallel, Chimin Sheu, and K. N. Houk: "Theoretical Predictions of Substituent Effects on the Thermal Electrocyclic Ring Openings of Cyclobutenones," J. Org. Chem., 61, 2517-2522 (1996).

356. Satomi Niwayama, E. Adam Kallel, David C. Spellmeyer, Chimin Sheu, and K. N. Houk: "Substituent Effects on Rates and Stereoselectivities of Conrotatory Electrocyclic Reactions of Cyclobutenes. A Theoretical Study," J. Org. Chem., 61, 2813-2825 (1996).

357. Beatriz de Pascual-Teresa and K. N. Houk: "The Ionic Diels-Alder Reaction of the Allyl Cation and Butadiene: Theoretical Investigation of the Mechanism," Tetrahedron Lett., 37, 1759-1762 (1996).

358. E. Goldstein, Brett Beno, and K. N. Houk: "Density Functional Theory Prediction of the Relative Energies and Isotope Effects for the Concerted and Stepwise Mechanisms of the Diels-Alder Reaction of Butadiene and Ethylene," J. Am. Chem. Soc., 118, 6036-6043 (1996).

359. Jim Na, K. N. Houk, and Donald Hilvert: "Transition State of the Base-Promoted Ring-Opening of Isoxazoles. Theoretical Prediction of Catalytic Functionalities and Design of Haptens for Antibody Production," J. Am. Chem. Soc., 118, 6462-6471 (1996).

360. K. N. Houk, Kensuke Nakamura, Chimin Sheu, and Amy E. Keating: "Gating as a Control Element in Constrictive Binding and Guest Release by Hemicarcerands," Science, 273, 627-629 (1996).

361. Chimin Sheu and K. N. Houk: "Molecular Mechanics and Statistical Thermodynamics Studies of Complexes of a Flexible Hemicarcerand with Neutral Guests," J. Am. Chem. Soc., 118, 8056-8070 (1996).

362. Jennifer L. Radkiewicz, H. Zipse, Steven Clarke, and K. N. Houk: "Accelerated Racemization of Aspartic Acid and Asparagine Residues via Succinimide Intermediates: An ab Initio Theoretical Exploration of Mechanism," J. Am. Chem. Soc., 118, 9148-9155 (1996).

363. Jim Na and K. N. Houk: "Predicting Antibody Catalyst Selectivity from Optimum Binding of Catalytic Groups to a Hapten," J. Am. Chem. Soc., 118, 9204-9205 (1996).

364. Hendrik Zipse, Li-hsing Wang, and Kendall N. Houk: "Polyether Catalysis of Ester Aminolysis - A Computational and Experimental Study," Liebigs Ann., 1511-1522 (1996).

365. William R. Dolbier, Jr., Henryk Koroniak, K. N. Houk, and Chimin Sheu: "Electronic Control of Stereoselectivities of Electrocyclic Reactions of Cyclobutenes: A Triumph of Theory in the Prediction of Organic Reactions," Acc. Chem. Res., 29, 471-477 (1996).

366. Brett R. Beno, K. N. Houk, and Daniel A. Singleton: "Synchronous or Asynchronous? An 'Experimental' Transition State from a Direct Comparison of Experimental and Theoretical Kinetic Isotope Effects for a Diels-Alder Reaction," J. Am. Chem. Soc., 118, 9984-9985 (1996).

367. Olaf Wiest and K. N. Houk: "Density Functional Theory Calculations of Pericyclic Reaction Transition Structures," Topics in Current Chemistry, 183, 1-22 (1996).

368. T. Okuno, K. Ohmori, S. Nishiyama, S. Yamamura, K. Nakamura, K. N. Houk, and K. Okamoto: "Chemical Study on Hapalosin, A Cyclic Depsipeptide Possessing Multidrug Resistance Reversing Activities - Synthesis, Structure, and Biological Activity," Tetrahedron, 52, 14723-14734 (1996).

369. Rohit Batra, Bernd Giese, Martin Spichty, Georg Gescheidt, and K. N. Houk: "Calculations of Isotropic Hyperfine Coupling Constants of Organic Radicals. An Evaluation of Semiempirical, Hartree-Fock, and Density Functional Methods," J. Phys. Chem., 47, 18371-18379 (1996).

370. K. N. Houk, Kevin R. Condroski, and William A. Pryor: "Radical and Concerted Mechanisms in Oxidations of Amines, Sulfides, and Alkenes by Peroxynitrite, Peroxynitrous Acid, and the Peroxynitrite-CO2 Adduct: Density Functional Theory Transition Structures and Energetics," J. Am. Chem. Soc., 118, 13002-13006 (1996).

371. Juyoung Yoon, Chimin Sheu, K. N. Houk, Carolyn B. Knobler, and Donald J. Cram: "Syntheses, Binding Properties, and Structures of Seven New Hemicarcerands Each Composed of Two Bowls Bridged by Three Tetramethylenedioxy Groups and a Fourth Unique Linkage," J. Org. Chem., 61, 9323-9339 (1996).

372. Melissa J. Lucero and K. N. Houk: "Conformational Transmission of Chirality: The Origin of 1,4-Asymmetric Induction in Michael Reactions of Chiral Imines," J. Am. Chem. Soc., 119, 826-827 (1997).

373. Amy E. Keating, Steve H. Shin, K. N. Houk, and Miguel A. Garcia-Garibay: "Combining Quantum Mechanical Reaction Pathways with Force Field Lattice Interactions To Model a Solid-State Phototransformation," J. Am. Chem. Soc., 119, 1474-1475 (1997).

374. Hi Young Yoo and K. N. Houk: "Theory of Substituent Effects on Pericylic Reaction Rates: Alkoxy Substituents in the Claisen Rearrangement," J. Am. Chem. Soc., 119, 2877-2884 (1997).

375. Emanuel Vogel, Martin Bröring, Chrostoph Erben, Ralf Demuth, Johann Lex, Maja Nendel, K. N. Houk: "Palladium Complexes of the New Porphyrin Isomers (Z)- and (E)-Isoporphycene - PdII-Induced Cyclization of Tetrapyrrolealdehydes," Angew. Chem. Int. Ed. Engl., 36, 353-357 (1997).

376. Maja Nendel, Kendall N. Houk, L. M. Tolbert, Emanuel Vogel, Haijun Jiao, and Paul von Ragué Schleyer: "The Bond Localization Energies in the Aromatic Bismethanol[14] annulenes," Angew. Chem. Int. Ed. Engl., 36, 748-750 (1997).

377. Daniel A. Singleton, Steven R. Merrigan, Jian Liu, and K. N. Houk: "Experimental Geometry of the Epoxidation Transition State," J. Am. Chem. Soc., 119, 3385-3386 (1997).

378. K. N. Houk and Jeehiun K. Lee: "Physical Organic Chemistry in the 21st Century: Evanescent or Transcendant?" Pure & Appl. Chem., 69, 237-239 (1997).

379. Jeehiun K. Lee and K. N. Houk: "A Proficient Enzyme Revisited: The Predicted Mechanism for Orotidine Monophosphate Decarboxylase," Science, 276, 942-945 (1997).

380. Kensuke Nakamura, Chimin Sheu, Amy E. Keating, K. N. Houk, John C. Sherman, Robert G. Chapman, and William L. Jorgensen, "Self-Assembling Ternary Complex Stabilities and Template Ratios in Carceplex Formation," J. Am. Chem. Soc., 119, 4321-4322 (1997).

381. Jeffrey D. Winkler, Hak Sung Kim, Sanghee Kim, Kaori Ando, and Kendall N. Houk: "Stereoselective Synthesis of the Taxane Ring System via the Tandem Diels-Alder Cycloaddition," J. Org. Chem., 62, 2957-2962 (1997).

382. Jeehiun K. Lee and Kendall N. Houk: "Cation-Cyclization Selectivity: Variable Structures of Protonated Cyclopropanes and Selectivity Control by Catalytic Antibodies," Angew. Chem. Int. Ed. Engl, 36, 1003-1005 (1997).

383. Qiaolin Deng, Bert E. Thomas, K. N. Houk, and Paul Dowd: "Transition Structures of the Ene Reactions of Cyclopropene," J. Am. Chem. Soc., 119, 6902-6908 (1997).

384. Jan Haller, Thomas Strassner, and K. N. Houk: "Models for Stereoselective Additions to Chiral Allylic Ethers: Osmium Tetroxide Bis-hydroxylations," J. Am. Chem. Soc., 119, 8031-8034 (1997).

385. Jan Haller, Satomi Niwayama, How-Yunn Duh, and K. N. Houk: "Stereoselective Diels-Alder Reactions of Hexachlorocyclopentadiene with Chiral Alkenes: New Insights into the 'Inside-Alkoxy' Model of Stereoselectivity," J. Org. Chem., 62, 5728-5731 (1997).

386. Viktorya Aviyente, Hi Young Yoo, and K. N. Houk: "Analysis of Substituent Effects on the Claisen Rearrangement with Ab Initio and Density Functional Theory," J. Org. Chem., 62, 6121-6128 (1997).

387. K. N. Houk, Brett R. Beno, Maja Nendel, Kersey Black, Hi Young Yoo, Sarah Wilsey, and Jeehiun K. Lee: "Exploration of Pericyclic Reaction Transition Structures by Quantum Mechanical Methods: Competing Concerted and Stepwise Mechanisms," THEOCHEM, 398-399, 169-179 (1997).

388. Jenny S. Chen, K. N. Houk, and Christopher S. Foote: "The Nature of the Transition Structures of Triazolinedione Ene Reactions," J. Am. Chem. Soc., 119, 9852-9855 (1997).

389. Albert J. DelMonte, Jan Haller, K. N. Houk, K. Barry Sharpless, Daniel A. Singleton, Thomas Strassner, and Allen A. Thomas: "Experimental and Theoretical Kinetic Isotope Effects for Asymmetric Dihydroxylation. Evidence Supporting a Rate-Limiting "(3 + 2)" Cycloaddition," J. Am. Chem. Soc., 119, 9907-9908 (1997).

390. Varsha Gupta, Anthony K. Ogawa, Xiaohui Du, K. N. Houk, and Robert W. Armstrong: "A Model for Binding of Structurally Diverse Natural Product Inhibitors of Protein Phosphatases PP1 and PP2A," J. Med. Chem., 40, 3199-3206 (1997).

391. K. N. Houk, Jian Liu, Nicholas C. DeMello, Kevin R. Condroski: "Transition States of Epoxidations: Diradical Character, Spiro Geometries, Transition State Flexibility, and the Origins of Stereoselectivity," J. Am. Chem. Soc., 119, 10147-10152 (1997).

392. Matthias K. Diedrich, Frank-Gerrit Klärner, Brett R. Beno, K. N. Houk, Hanoch Senderowitz, and W. Clark Still: "Experimental Determination of the Activation Parameters and Stereoselectivities of the Intramolecular Diels-Alder Reactions of 1,3,8-Nonatriene, 1,3,9-Decatriene, and 1,3,10-Undecatriene and Transition State Modeling with the Monte Carlo - Jumping Between Wells/Molecular Dynamics Method," J. Am. Chem. Soc., 119, 10255-10259 (1997).

393. K. N. Houk, Maja Nendel, Olaf Wiest, Joey W. Storer: "The Vinylcyclopropane-Cyclopentene Rearrangement: A Prototype Thermal Rearrangement Involving Competing Diradical Concerted and Stepwise Mechanisms," J. Am. Chem. Soc., 119, 10545-10546 (1997).

394. Olaf Wiest, Daniel C. Montiel, and K. N. Houk: "Quantum Mechanical Methods and the Interpretation and Prediction of Pericyclic Reaction Mechanisms," J. Phys. Chem. A, 101, 8378-8388 (1997).

395. Amy E. Keating, Miguel A. Garcia-Garibay, and K. N. Houk: "Origins of Stereoselective Carbene 1,2-Shifts and Cycloadditions of 1,2-Dichloroethylidene: A Theoretical Model Based on CBS-Q and B3LYP Calculations," J. Am. Chem. Soc., 119, 10805-10809 (1997).

396. Haijun Jiao, Paul von Ragué Schleyer, Brett R. Beno, K. N. Houk, and Ralf Warmuth: "Theoretical Structures, Aromaticity, and Magnetic Properties of o-Benzyne," Angewandte Chemie, 109, 2929-2933 (1997).

397. Yun-Dong Wu, Kyle W. K. Chan, Cong-Ping Yip, Emanuel Vogel, Dietmar A. Plattner, and K. N. Houk: "Porphyrin Isomers: Geometry, Tautomerism, Geometrical Isomerism, and Stability," J. Org. Chem., 62, 9240-9250 (1997).

398. Peter Kast, Yadu B. Tewari, Olaf Wiest, Donald Hilvert, K. N. Houk, and Robert N. Goldberg: "Thermodynamics of the Conversion of Chorismate to Prephenate: Experimental Results and Theoretical Predictions," J. Phys. Chem. B, 101, 10976-10982 (1997).

399. Corky Jenson, Jian Liu, Kendall N. Houk, and William L. Jorgensen: "Elucidation of Transition Structures and Solvent Effects for Epoxidation by Dimethyldioxirane," J. Am. Chem. Soc., 119, 12982-12983 (1997).

400. Hi Young Yoo, K. N. Houk, Jeehiun K. Lee, Mark A. Scialdone, and A. I. Meyers: "A New Paradigm for Anionic Heteroatom Cope Rearrangements," J. Am. Chem. Soc., 120, 205-206 (1998).

401. M. Carmen Carreño, Manuel Pérez González, and K. N. Houk: "Pi-Facial Diastereoselection in Diels-Alder Reactions of (R)-4-[(p-tolylsulfinyl)methyl]quinols," J. Org. Chem., 62, 9128-9137 (1997).

402. Brett R. Beno, Chimin Sheu, K. N. Houk, Ralf Warmuth, and D. J. Cram: "Cycloaddition of o-Benzyne to Benzene and the Inner Phase of a Hemicarcerand," Chem. Comm., 301-302 (1998).

403. Ferran Prat, K. N. Houk, and Christopher S. Foote: "Effect of Guanine Stacking on the Oxidation of 8-Oxoguanine in B - DNA," J. Am. Chem. Soc., 120, 845-846 (1998).

404. Jian Liu, Satomi Niwayama, Ying You, and K. N. Houk: "Theoretical Prediction and Experimental Tests of Conformational Switches in Transition States of Diels-Alder and 1,3-Dipolar Cycloadditions to Enol Ethers," J. Org. Chem., 63, 1064-1073 (1998).

405. Jennifer L. Radkiewicz, Michael McAllister, Elisheva Goldstein, and K. N. Houk: "A Theoretical Investigation of Phosphonamidates and Sulfonamides as Protease Transition State Isosteres," J. Org. Chem., 63, 1419-1428 (1998).

406. Kaori Ando, K. N. Houk, Joachim Busch, Alexander Menassé, and Urs Séquin: "Experimental and Computational Studies of Nucleophilic Additions of Metal Hydrides and Organometallics to Hindered Cyclohexanones," J. Org. Chem., 63, 1761-1766 (1998).

407. Katherine Hutchison, Gordana Srdanov, Robin Hicks, Huinan Yu, Fred Wudl, Thomas Strassner, Maja Nendel, and K. N. Houk: "Tetraphenylhexaazaanthracene: A Case for Dominance of Cyanine Ion Stabilization Overwhelming 16 p Aromaticity," J. Am. Chem. Soc., 120, 2989-2990 (1998).

408. Kaori Ando, Kevin R. Condroski, K. N. Houk, Yun-Dong Wu, Sylvie Kim Ly, and L. E. Overman: "Stereoselectivities of Nucleophilic Additions to Cycloheptanones. Experimental and Theoretical Studies and General Purpose Force Field for the Prediction of Nucleophilic Addition Stereoselectivities," J. Org. Chem., 63, 3196-3203 (1998).

409. Nicholas J. Turro, Ann McDermott, Xuegong Lei, Wei Li, Lloyd Abrams, M. Francesca Ottaviani, Hege Støgård Beard, Kendall N. Houk, Brett R. Beno, and Patrick S. Lee: "Photochemistry of Ketones Adsorbed on Size/Shape Selective Zeolites. A Supramolecular Approach to Persistent Carbon Centered Radicals," Chem. Commun., 697-698 (1998).

410. Andreas Heine, Enrico A Stora, Jari T. Yli-Kauhaluoma, Changshou Gao, Qiaolin Deng, Brett R. Beno, Kendall N. Houk, Kim D. Janda, and Ian A. Wilson: "An Antibody exo Diels-Alderase Inhibitor Complex at 1.95 Angstrom Resolution," Science, 279, 1934-1940 (1998).

411. Guadalupe Silvero, Melissa J. Lucero, E. Winterfeldt, and K. N. Houk: "Theoretical Study of the Facial Selectivity in Diels-Alder Reactions of 4,4-Disubstituted Cyclohexadienones," Tetrahedron, 54, 7293-7300 (1998).

412. Kersey A. Black, Sarah Wilsey, and K. N. Houk: "Alkynes, Allenes, and Alkenes in [3,3]-Sigmatropy: Functional Diversity and Kinetic Monotony. A Theoretical Analysis," J. Am. Chem. Soc., 120, 5622-5627 (1998).

413. Jan Haller, Brett R. Beno, and K. N. Houk: "Why Is the Concerted (2+2) Mechanism of the Reactions of SO3 with Alkenes Favored over the (3+2) Mechanism? Density Functional and Correlated ab Initio Calculations and a Frontier MO Analysis," J. Am. Chem. Soc., 120, 6468-6472 (1998).

414. M. Carmen Carreño, Manuel Pérez, María Ribagorda, and K. N. Houk: "Studies of Diastereoselectivity in Conjugate Addition of Organoaluminum Reagents to (R)-[(p-Tolylsulfinyl)methyl]quinols and Derivatives," J. Org. Chem., 63, 3687-3693 (1998).

415. Jiangang Chen, Michael A. McAllister, Jeehiun K. Lee, and K. N. Houk: "Short, Strong Hydrogen Bonds in the Gas Phase and in Solution: Theoretical Exploration of pKa Matching and Environmental Effects on the Strengths of Hydrogen Bonds and Their Potential Role in Enzymatic Catalysis," J. Org. Chem., 63, 4611-4619 (1998).

416. Michael D. Bartberger, Leif P. Olson, and K. N. Houk: "Mechanisms of Peroxynitrite Oxidations and Rearrangements: The Theoretical Perspective," Chem. Res. Toxicol., 11, 710-711 (1998).

417. Jeffrey D. Winkler, Jeffrey Axten, Abdel Hakim Hammach, Young-Shin Kwak, Urs. Lengweiler, Melissa J. Lucero, and K. N. Houk: "Stereoselective Synthesis of the Tetracyclic Core of Manzamine via the Vinylogous Amide Photocycloaddition Cascade," Tetrahedron, 54, 7045-7056 (1998).

418. Maja Nendel, K. N. Houk, L. M. Tolbert, Emanuel Vogel, Haijun Jiao, and Paul von Ragué Schleyer: "Bond Alternation and Aromatic Character in Cyclic Polyenes: Assessment of Theoretical Methods for Computing the Structures and Energies of Bismethano[14]annulenes," J. Phys. Chem. A, 102, 7191-7198 (1998).

419. Françisco M. Raymo, K. N. Houk, and J. Fraser Stoddart: "The Mechanism of the Slippage Approach to Rotaxanes. Origin of the "All-or-Nothing" Substituent Effect," J. Am. Chem. Soc., 120, 9318-9322 (1998).

420. Françisco M. Raymo, K. N. Houk, and J. Fraser Stoddart: "Origins of Selectivity in Molecular and Supramolecular Entities: Solvent and Electrostatic Control of the Translational Isomerism in [2]Catenanes," J. Org. Chem., 63, 6523-6528 (1998).

421. Xiaohui Du and K. N. Houk: "Transition States for Alkane Oxidations by Dioxiranes," J. Org. Chem., 63, 6480-6483 (1998).

422. Melissa J. Lucero and K. N. Houk: "Torsional Control of Epoxidation Stereoselectivity in 1,2-Dihydronaphthalenes. Transition State Modeling with Semiempirical Quantum Mechanics," J. Org. Chem., 63, 6973-6977 (1998).

423. Yadu B. Tewari, Jiangang Chen, Marcia J. Holden, Kendall N. Houk, and Robert N. Goldberg: "Thermodynamics and Quantum Chemical Study of the Conversion of Chorismate to (Pyruvate + 4-Hydroxylbenzoate)," J. Phys. Chem. B, 102, 8634-8639 (1998).

424. Brett R. Beno, Jens Fennen, K. N. Houk, Hans Jörg Lindner, and Klaus Hafner: "[5,5] Sigmatropic Rearrangement. DFT Prediction of a Diradical Mechanism for a Woodward-Hoffmann "Allowed" Thermal Pericyclic Reaction," J. Am. Chem. Soc., 120, 10490-10493 (1998).

425. Amy E. Keating, Miguel A. Garcia-Garibay, and K. N. Houk: "Influence of Bystander Substituents on the Rates of 1,2-H and 1,2-Ph Shifts in Singlet and Triplet Carbenes," J. Phys. Chem. A, 102, 8467-8476 (1998).

426. Dean J. Tantillo, Jiangang Chen, and Kendall N. Houk: "Theozymes and Compuzymes: Theoretical Models for Biological Catalysis," Curr. Opin. Chem. Biol., 2, 743-750 (1998).

427. Jian Liu, K. N. Houk, Anna Dinoi, Caterina Fusco, and Ruggero Curci: "Dioxirane Epoxidations of 1,1-Disubstituted Ethylenes. Probing for Radical Pathways by Computations and Experiments," J. Org. Chem., 63, 8565-8569 (1998).

428. Jing Tian, K. N. Houk, and Frank-Gerrit Klärner: "Substituent Effect on Stereospecificity and Energy of Concert of the Retro-Diels-Alder Reaction of Isopropylidenenorbornene," J. Phys. Chem. A, 102, 7662-7667 (1998).

429. Inadvertent duplication of #365.

430. Xue Wang and K. N. Houk: "Difluorotoluene, a Thymine Isostere, Does Not Hydrogen Bond After All," Chem. Comm., 2631-2632 (1998).

431. Bernd Goldfuss and K. N. Houk: "Origin of Enantioselectivities in Chiral b-Amino Alcohol Catalyzed Asymmetric Additions of Organozinc Reagents to Benzaldehyde: PM3 Transition State Modeling," J. Org. Chem., 63, 8998-9006 (1998).

432. Jenny S. Chen, K. N. Houk, and Christopher S. Foote: "Theoretical Study of the Concerted and Stepwise Mechanisms of Triazolinedione Diels-Alder Reactions," J. Am. Chem. Soc., 120, 12303-12309 (1998).

433. K. N. Houk, Sarah L. Wilsey, Brett R. Beno, Achim Kless, Maja Nendel, and Jing Tian: "Retro-cycloadditions and Sigmatropic Shifts: The C7H8 and C7H10 Potential Energy Surfaces," Pure Appl. Chem., 70, 1947-1952 (1998).

434. Dorota Sawicka, Sarah Wilsey, and K. N. Houk: "The 16 kcal/mol Anomaly: Alteration of [2 + 2 + 2] Cycloaddition Rates by Through-Bond Interactions," J. Am. Chem. Soc., 121, 864-865 (1999).

435. K. N. Houk and Thomas Strassner: "Establishing the (3+2) Mechanism for the Permanganate Oxidation of Alkenes by Theory and Kinetic Isotope Effects," J. Org. Chem., 64, 800-802 (1999).

436. Maja Nendel, Laren M. Tolbert, Laura E. Herring, Md. Nurul Islam, and K. N. Houk: "Strained Allenes as Dienophiles in the Diels-Alder Reaction: An Experimental and Computational Study," J. Org. Chem., 64, 976-983 (1999).

437. K. N. Houk, Stephan Menzer, Simon P. Newton, Françisco Raymo, J. Fraser Stoddart, and David J. Williams, "[C-HÖO] Interactions as a Control Element in Supramolecular Complexes: Experimental and Theoretical Evaluation of Receptor Affinities for the Binding of Bipyridinium-Based Guests by Catenated Hosts," J. Am. Chem. Soc., 121, 1479-1487 (1999).

438. Maja Nendel, Bernd Goldfuss, K. N. Houk, and K. Hafner, "s-Indacene, a Quasi-Delocalized Molecule with Mixed Aromatic and Anti-Aromatic Character," J. Mol. Struct. (Theochem), 461-462, 23-28 (1999).

439. K. N. Houk, Jian Liu, and Thomas Strassner, "Transition State Modeling of Asymmetric Epoxidation Catalysts," in Transition State Modeling for Catalysis, Donald G. Truhlar and Keiji Morokuma, Eds. ACS Symposium Series 271: Washington, DC, 1999. pp. 33-48.

440. Craig A. Merlic, Joseph C. Walsh, Dean J. Tantillo, and K. N. Houk: "Chemical Hermaphroditism: The Potential of the Cr(CO)3 Moiety to Stabilize Transition States and Intermediates with Anionic, Cationic, or Radical Character at the Benzylic Position," J. Am. Chem. Soc., 121, 3596-3606 (1999).

441. Amy E. Keating, Steven R. Merrigan, Daniel A. Singleton, and K. N. Houk: "Experimental Proof of the Non-Least-Motion Cycloadditions of Dichlorocarbene to Alkenes: Kinetic Isotope Effects and Quantum Mechanical Transition States," J. Am. Chem. Soc., 121, 3933-3938 (1999).

442. Dean J. Tantillo and K. N. Houk: "Fidelity in Hapten Design: How Analogous Are Phosphonate Haptens to the Transition States for Alkaline Hydrolyses of Aryl Esters?" J. Org. Chem., 64, 3066-3076 (1999).

443. Garth A. Jones, Michael J. Shephard, Michael N. Paddon-Row, Brett R. Beno, K. N. Houk, Kate Redmon, and Barry K. Carpenter: "Unexpected Complexity in the Thermal [p2 + s2 + s2] Cycloaddition Reactions of Quadricyclane: Theory and Isotope Effects," J. Am. Chem. Soc., 121, 4334-4339 (1999).

444. Achim Kless, Maja Nendel, Sarah Wilsey, and K. N. Houk: "Origin of the Preference for the Orbital Symmetry Forbidden Stereochemistry of the 1,5-Sigmatropic Shift of Substituted Norcaradienes," J. Am. Chem. Soc., 121, 4524-4525 (1999). Correction: J. Am. Chem. Soc., 121, 7278 (1999).

445. Michael E. Jung, Rodolfo Marquez, and K. N. Houk: "The Influence of Geminal Disubstitution on Efficiencies of 4-Exo-Trig Radical Cyclizations," Tet. Lett., 40, 2661-2664 (1999).

446. Alexander Greer, Kenneth A. Conklin, Kym Faull, K. N. Houk, and Christopher S. Foote: "Low Temperature FAB Mass and NMR Spectroscopic Identifications of Unstable Episulfoxides," J. Org. Chem., 64, 1432-1433 (1999).

447. Brett R. Beno, Sarah Wilsey, and K. N. Houk: "The C7H10 Potential Energy Landscape: Concerted Transition States and Diradical Intermediates for the Retro-Diels-Alder Reaction and [1,3] Sigmatropic Shifts of Norbornene," J. Am. Chem. Soc., 121, 4816-4826 (1999).

448. Dean J. Tantillo, K. N. Houk, Robert V. Hoffman, and Junhua Tao: "Origins of Regio- and Stereoselectivity in Acid-Promoted Reactions of a-Lactams," J. Org. Chem., 64, 3830-3837 (1999).

449. Kaori Ando, Nora S. Green, Yi Li, and K. N. Houk: "Torsional and Steric Effects Control the Stereoselectivities of Alkylations of Pyrrolidinone Enolates," J. Am. Chem. Soc., 121, 5334-5335 (1999).

450. Karl Gruber, Bin Zhou, Kendall N. Houk, Richard A. Lerner, Charles G. Shevlin, and Ian A. Wilson: "Structural Basis for Antibody Catalysis of a Disfavored Ring Closure Reaction," Biochemistry, 38, 7062-7074 (1999).

451. Sarah Wilsey, K. N. Houk, and A. H. Zewail: "Ground- and Excited-State Reactions of Norbornene and Isomers: A CASSCF Study and Comparison with Femtosecond Experiments," J. Am. Chem. Soc., 121, 5772-5786 (1999).

452. Maja Nendel, Bernd Goldfuss, K. N. Houk, Klaus Hafner, and Udo Grieser: "Bis-periazulene: A Simple Kekulé Biradical with a Triplet Ground State," Theor. Chem. Acc., 102, 397-400 (1999).

453. Frank-Gerrit Klärner, Ralf Ehrhardt, Heinz Bandmann, Roland Boese, Dieter Bläser, K. N. Houk, and Brett R. Beno: "Pressure-Induced Cycloadditions of Dicyanoacetylene to Strained Arenes: The Formation of Cyclooctatetraene, 9,10-Dihydronaphthalene, and Azulene Derivatives; A Degenerate [1,5] Sigmatropic Shift - Comparison Between Theory and Experiment," Chem. Eur. J., 5, 2119-2132 (1999).

454. Maja Nendel, Bernd Goldfuss, Brett Beno, K. N. Houk, K. Hafner, Hans-Jörg Lindner: "Theoretical Studies of Novel Aromatic Molecules and Transition States," Pure Applied Chem., 71, 221-229 (1999).

455. Charles Doubleday, Maja Nendel, K. N. Houk, David Thweatt, and Michael Page: "Direct Dynamics Quasiclassical Trajectory Study of the Stereochemistry of the Vinylcyclopropane-Cyclopentene Rearrangement," J. Am. Chem. Soc., 121, 4720-4721 (1999).

456. Gennady V. Shustov, Michael T. H. Liu, and K. N. Houk: "Facile Formation of Azines from Reactions of Singlet Methylene and Dimethylcarbene with Precursor Diazirines: Theoretical Explorations," Can. J. Chem., 77, 540-549 (1999).

457. L. J. Schaad, Laimutis Bytautas, and K. N. Houk: "Ab Initio Test of the Usefulness of the Redlich-Teller Product Rule in Computing Kinetic Isotope Effects," Can. J. Chem., 77, 875-878 (1999).

458. Daniel A. Singleton, Steven R. Merrigan, Brett R. Beno, and K. N. Houk: "Isotope Effects for Lewis Acid-Catalyzed Diels-Alder Reactions. The Experimental Transition State," Tetrahedron Lett., 40, 5817-5821 (1999).

459. Thomas Strassner and K. N. Houk: "Predictions of Geometries and Multiplicities of the Manganese-Oxo Intermediates in the Jacobsen Epoxidation," Org. Lett., 1, 419-421 (1999).

460. Bernd Goldfuss, Saeed I. Khan, and K. N. Houk: "Chiral Complexes with n-Butyllithium and Methylzinc: X-ray Crystal Structures of Lithium and Zinc (1R,2R,4R)-2-endo-Oxido-2-exo-(o-methoxyphenyl)-1,3,3-trimethylbicyclo[2.2.1]heptane," Organometallics, 18, 2927-2929 (1999).

461. Xue Wang and K. N. Houk: "Gating and Entropy in Guest Exchange by Rebek’s Sportsballs. Theoretical Studies of One-Door, Side-Door, and Back-Door Gating," Org. Lett., 1, 591-594 (1999).

462. Xue Wang, K. N. Houk, Martin Spichty, and Thomas Wirth: "Origin of Stereoselectivities in Asymmetric Alkoxyselenenylations," J. Am. Chem. Soc., 121, 8567-8576 (1999).

463. Fred Wudl, P. A. Koutentis, A. Weitz, B. Ma, Thomas Strassner, K. N. Houk, and S. I. Khan: "Polyazaacenes: New Tricks for Old Dogs," Pure Appl. Chem., 71, 295-302 (1999).

464. J. M. Adam, Leon Ghosez, and K. N. Houk: "A Convergent Strategy for the Asymmetric Synthesis of Enantiomerically Pure Bicyclic Compounds by Using a Silicon-Directed Cycloaddition Reation: The Synthesis of Enantiomerically Pure Bicyclo[3.2.0]hept-2-en-6-one," Angew. Chem. Int. Ed. Engl., 38, 2728-2730 (1999).

465. E. Goldstein, Brett R. Beno, and K. N. Houk: "Transition Structures and exo/endo Stereoselectivities of Concerted [6 + 4] Cycloadditions with Density Functional Theory," Theor. Chem. Acc., 103, 81-84 (1999).

466. Dorota Sawicka, Yi Li, and K. N. Houk: "[2+2+2]-Cycloreversion Reactions: A Theoretical Elucidation of Thermodynamic and Through-Bond Coupling Effects on Activation Energies," J. Chem. Soc., Perkin Trans. 2, 2349-2335 (1999).

467. Sarah Wilsey, Paul Dowd, and K. N. Houk: "Effect of Alkyl Substituents and Ring Size on Alkoxy Radical Cleavage Reactions," J. Org. Chem., 64, 8801-8811 (1999).

468. Jian Xu, Qiaolin Deng, Jiangang Chen, Kendall N. Houk, Johannes Bartek, Donald Hilvert, and Ian A. Wilson: "Evolution of Shape Complementarity and Catalytic Efficiency from a Primordial Antibody Template," Science, 286, 2345-2348 (1999).

469. David A. Hrovat, Brett R. Beno, Holger Lange, Hi-Young Yoo, K. N. Houk, and Weston Thatcher Borden: "A Becke3LYP/6-31G* Study of the Cope Rearrangements fo Substituted 1,5-Hexadienes Provides Computational Evidence for a Chameleonic Transition State," J. Am. Chem. Soc., 121, 10529-10537 (1999).

470. Kensuke Nakamura and K. N. Houk: "Theoretical Studies of the Wilcox Molecular Torsion Balance. Is the Edge-to-Face Aromatic Interaction Important?" Org. Lett., 1, 2049-2051 (1999).

471. Per-Ola Norrby, Torben Rasmussen, Jan Haller, Thomas Strassner, and K. N. Houk: "Rationalizing the Stereoselectivity of Osmium Tetroxide Asymmetric Dihydroxylations with Transition State Modeling Using Quantum Mechanics-Guided Molecular Mechanics," J. Am. Chem. Soc., 121, 10186-10192 (1999).

472. Fredrik Haeffner, K. N. Houk, Y. Ravindra Reddy, and Leo A. Paquette: "Mechanistic Variations and Rate Effects of Alkoxy and Thioalkoxy Substituents on Anionic Oxy-Cope Rearrangements," J. Am. Chem. Soc., 121, 11880-11884 (1999). Correction: J. Am. Chem. Soc., 122, 3799 (2000).

473. Dan Yang, Yeung-Chiu Tang, Jian Chen, Xue-Chao Wang, Michael D. Bartberger, K. N. Houk, and Leif Olson: "Ketone-Catalyzed Decomposition of Peroxynitrite via Dioxirane Intermediates," J. Am. Chem. Soc., 121, 11976-11983 (1999).

474. Dean J. Tantillo, Jon M. Fukuto, Brian M. Hoffman, Richard B. Silverman, and K. N. Houk: "Theoretical Studies on NG-Hydroxy-L-arginine and Derived Radicals: Implications for the Mechanism of Nitric Oxide Synthase," J. Am. Chem. Soc., 122, 536-537 (2000).

475. Leo A. Paquette, Y. Ravindra Reddy, Fredrik Haeffner, and K. N. Houk: "Consequences of Heteroatomic C-6 Substitution on Rates of the Oxyanionic Cope Rearrangement. The Remarkable Accelerating Effect of Sulfide Groups," J. Am. Chem. Soc., 122, 740-741 (2000).

476. Bernd Goldfuss, Melanie Steigelmann, Saeed I. Khan, and K. N. Houk: "Rationalization of Enantioselectivities in Dialkylzinc Additions to Benzaldehyde Catalyzed by Fenchone Derivatives," J. Org. Chem., 65, 77-82 (2000).

477. K. N. Houk: "Perspective on 'Theoretical Interpretation of 1-2 Asymmetric Induction. The Importance of Antiperiplanarity' by N. T. Anh and O. Eisenstein, Nouv. J. Chim., 1, 61-70 (1977)," Theor. Chem. Acc., 103, 330-331 (2000).

478. Dorota Sawicka and Kendall N. Houk: "Aromaticity and Antiaromaticity in Small Ring Transition States, Assessed by NICS Values and Energetics," J. Mol. Model., 6, 158-165 (2000).

479. Sarah Wilsey and K. N. Houk: "H/Allyl and Alkyl/Allyl Conical Intersections: Ubiquitous Control Elements in Photochemical Sigmatropic Shifts," J. Am. Chem. Soc., 122, 2651-2652 (2000).

480. Ilyas Washington and K. N. Houk: "Transition States and Origins of Stereoselectivity of Epoxidations by Oxaziridinium Salts," J. Am. Chem. Soc., 122, 2948-2949 (2000).

481. Jonathan D. Toker, Paul Wentworth, Jr., Yunfeng Hu, K. N. Houk, and Kim D. Janda: "Antibody-Catalysis of a Bimolecular Asymmetric 1,3-Dipolar Cycloaddition Reaction," J. Am. Chem. Soc., 122, 3244-3245 (2000).

482. Maja Nendel, Dirk Sperling, Olaf Wiest, and K. N. Houk: "Computational Explorations of Vinylcyclopropane-Cyclopentene Rearrangements and Competing Diradical Stereoisomerizations," J. Org. Chem., 65, 3259-3268 (2000).

483. Thomas Strassner, Amir Weitz, Jefferson Rose, Fred Wudl, and K. N. Houk: "Toward Ferromagnetic Materials: Prediction of a Triplet Ground State for Heterocyclic Polyacenes," Chem. Phys. Lett., 321, 459-462 (2000).

484. Alan Armstrong, Ilyas Washington, and K. N. Houk: "Transition State Stereoelectronics in Alkene Epoxidations by Fluorinated Dioxiranes," J. Am. Chem. Soc., 122, 6297-6298 (2000).

485. Sarah Wilsey, Leticia Gonzalez, Michael A. Robb, and K. N. Houk: "Ground- and Excited-State Surfaces for the [2+2]-Photocycloaddition of a,b-Enones to Alkenes," J. Am. Chem. Soc., 122, 5866-5876 (2000).

486. Michael D. Bartberger, K. N. Houk, Steven C. Powell, Joseph D. Mannion, Kenneth Y. Lo, Jonathan S. Stamler, and Eric J. Toone: "Theory, Spectroscopy, and Crystallographic Analysis of S-Nitrosothiols: Conformational Distribution Dictates Spectroscopic Behavior," J. Am. Chem. Soc., 122, 5889-5890 (2000).

487. Dean J. Tantillo, Bruce N. Hietbrink, Craig A. Merlic, and K. N. Houk: "Attenuating and Supplanting Nonclassical Stabilization: Cr(CO)3-Complexed Benzonorbornenyl Cations," J. Am. Chem. Soc., 122, 7136-7137 (2000). Correction: J. Am. Chem. Soc., 123, 5851 (2001).

488. David A. Hrovat, Jiangang Chen, K. N. Houk, and Weston Thatcher Borden: "Cooperative and Competitive Substituent Effects on the Cope Rearrangements of Phenyl-Substituted 1,5-Hexadienes Elucidated by Becke3LYP/6-31G* Calculations," J. Am. Chem. Soc., 122, 7456-7460 (2000).

489. Thomas Strassner and K. N. Houk: "Mechanism of Permanganate Oxidation of Alkanes: Hydrogen Abstraction and Oxygen 'Rebound,'" J. Am. Chem. Soc., 122, 7821-7822 (2000).

490. Jill D. Fenske, Keith T. Kuwata, K. N. Houk, and Suzanne E. Paulson: "OH Radical Yields from the Ozone Reaction with Cycloalkenes," J. Phys. Chem. A, 104, 7246-7254 (2000).

491. Jill D. Fenske, Alam S. Hasson, Suzanne E. Paulson, Keith T. Kuwata, Andy Ho, and K. N. Houk: "The Pressure Dependence of the OH Radical Yield from Ozone-Alkene Reactions," J. Phys. Chem. A, 104, 7821-7833 (2000).

492. Sandra Handschuh, Bernd Goldfuss, Jiangang Chen, Johann Gasteiger, and K. N. Houk: "Steroid Binding by Antibodies and Artificial Receptors: Exploration of Theoretical Methods to Determine the Origins of Binding Affinities and Specificities," Journal of Computer-Aided Molecular Design, 14, 611-629 (2000).

493. Wenyuan Qian, Michael D. Bartberger, Salvador J. Pastor, Kendall N. Houk, Charles L. Wilkins, and Yves Rubin: "C62, a Non-Classical Fullerene Incorporating a Four-Membered Ring," J. Am. Chem. Soc., 122, 8333-8334 (2000).

494. Kinya Hotta, Holger Lange, Dean J. Tantillo, K. N. Houk, Donald Hilvert, and Ian A. Wilson: "Catalysis of Decarboxylation by a Preorganized Heterogeneous Microenvironment: Crystal Structures of Abzyme 21D8," J. Mol. Biol., 302, 1213-1225 (2000).

495. M. A. Garcia-Garibay, K. N. Houk, A. E. Keating, C. J. Cheer, M. Leibovitch, J. R. Scheffer, L. C. Wu: "Computational Prediction of the Enantioselectivity of a Solid-State Photoreaction," Org. Lett., 1, 1279-1281 (1999).

496. Yunfeng Hu and K. N. Houk: "Quantitative Predictions of Substituent and Solvent Effects on the Regioselectivities of Nitrile Oxide Cycloadditions to Electron-Deficient Alkynes," Tetrahedron, 56, 8239-8243 (2000).

497. Jiangang Chen, Qiaolin Deng, Renxiao Wang, Kendall N. Houk, and Donald Hilvert: "Shape Complementarity, Binding-Site Dynamics, and Transition State Stabilization: A Theoretical Study of Diels-Alder Catalysis by Antibody 1E9," ChemBioChem, 1, 255-261 (2000).

498. Viktorya Aviyente and K. N. Houk: "Cyano, Amino, and Trifluoromethyl Substituent Effects on the Claisen Rearrangement," J. Phys. Chem. A., 105, 383-391 (2001).

499. Michael D. Bartberger, Jon M. Fukuto, and K. N. Houk: "On the Acidity and Reactivity of HNO in Aqueous Solution and Biological Systems," Proc. Natl. Acad. Sci., 98, 2194-2198 (2001).

500. Kendall N. Houk, Jeehiun K. Lee, Dean J. Tantillo, Sogole Bahmanyar, and Bruce Hietbrink: "Crystal Structures of Orotidine Monophosphate Decarboxylase: Does the Structure Reveal the Mechanism of Nature's Most Proficient Enzyme?" ChemBiochem, 2, 113-118 (2001).

501. Shahrad M. Behnam, Shahdad E. Behnam, Kaori Ando, Nora S. Green, and K. N. Houk: "Stereoelectronic, Torsional, and Steric Effects on Rates of Enolization of Ketones," J. Org. Chem., 65, 8970-8978 (2000).

502. Jennifer L. Radkiewicz, Hendrik Zipse, Steven Clarke, and K. N. Houk: "Neighboring Side Chain Effects on Asparaginyl and Aspartyl Degradation: An Ab Initio Study of the Relationship Between Peptide Conformation and Backbone NH Acidity," J. Am. Chem. Soc., 123, 3499-3506 (2001).

503. Carina E. Cannizzaro, T. Strassner, and K. N. Houk: "The Origin of 1,4-Asymmetric Induction in the Additions of Chiral Alcohols to Ketenes," J. Am. Chem. Soc., 123, 2668-2669 (2001).

504. Yves Rubin, Thibaut Jarrosson, Guan-Wu Wang, Michael D. Bartberger, K. N. Houk, Georg Schick, Martin Saunders, and R. James Cross: "Insertion of Helium and Molecular Hydrogen Through the Orifice of an Open Fullerene," Angew. Chem. Int. Ed. Engl., 40, 1543-1546 (2001).

505. Craig A. Merlic, Michael M. Miller, Bruce N. Hietbrink, and K. N. Houk: "Reactivity of (h6-Arene)tricarbonylchromium Complexes Toward Additions of Anions, Cations, and Radicals," J. Am. Chem. Soc., 123, 4904-4918 (2001).

506. Jiangang Chen, Renxiao Wang, Michael Taussig, and K. N. Houk: "Quantitative Calculations of Antibody-Antigen Binding: Steroid-DB3 Binding Energies by the Linear Interaction Energy Method," J. Org. Chem., 66, 3021-3026 (2001).

507. Dean J. Tantillo and K. N. Houk: "Canonical Binding Arrays as Molecular Recognition Elements in the Immune System: Tetrahedral Anions and the Ester Hydrolysis Transition State," Chem. & Biol., 8, 535-545 (2001).

508. Dean J. Tantillo, K. N. Houk, and Michael E. Jung: "Origins of Stereoselectivity in Intramolecular Diels-Alder Cycloadditions of Dienes and Dienophiles Linked by Ester and Amide Tethers," J. Org. Chem., 66, 1938-1940 (2001).

509. Nora S. Green, Emil Reisler, and K. N. Houk: "Quantitative Evaluation of the Lengths of Homobifunctional Protein Cross-Linking Reagents Used as Molecular Rulers," Protein Science, 10, 1293-1304 (2001). (PDF)

510. Danielle Gree, Laurent Vallerie, Rene Gree, Loic Toupet, Ilyas Washington, Jean-Pierre Pelicier, Mercedes Villacampa, Jose Maria Perez, and K. N. Houk: "Conformations of Allylic Fluorides and Stereoselectivities of Their Diels-Alder Cycloadditions," J. Org. Chem., 66, 2374-2381 (2001). (PDF)

511. Brent A. Johnson, Yunfeng Hu, K. N. Houk, and Miguel A. Garcia-Garibay: "Vibrationally Assisted Tunneling in a Hydrogen Atom Transfer Reaction," J. Am. Chem. Soc., 123, 6941-6942 (2001). (PDF)

512. Andrew G. Leach and K. N. Houk: "Transition States and Mechanisms of the Hetero-Diels-Alder Reactions of Hyponitrous Acid, Nitrosoalkanes, Nitrosoarenes, and Nitrosocarbonyl Compounds," J. Org. Chem., 66, 5192-5200 (2001). (PDF)

513. Leo A. Paquette, Y. Ravindra Reddy, Grigoriy Vayner, and K. N. Houk: "High-Rate Accelerations in Oxy-Copy Rearrangements Induced by Sulfur Substitution: Kinetic Study Involving Electronically and Geometrically Differentiated 1-Alkenyl-2-(Z-propenyl)-7,7-dimethyl-exo-norbornan-2-ols," J. Am. Chem. Soc., 122, 10788-10794 (2000). (PDF)

514. K. N. Houk, Patrick S. Lee, and Maja Nendel: "Polyacene and Cyclacene Geometries and Electronic Structures: Bond Equalization, Vanishing Band Gaps, and Triplet Ground States Contrast with Polyacetylene," J. Org. Chem., 66, 5517-5521 (2001). (PDF)

515. Michael D. Bartberger, Joseph D. Mannion, Steven C. Powell, Jonathan S. Stamler, K. N. Houk, and Eric J. Toone: "S-N Dissociation Energies of S-Nitrosothiols: On the Origins of Nitrosothiol Decomposition Rates," J. Am. Chem. Soc., 123, 8868-8869 (2001). (PDF)

516. Francisco M. Raymo, Michael D. Bartberger, K. N. Houk, and J. Fraser Stoddart: "The Magnitude of [C-H...O] Hydrogen Bonding in Molecular and Supramolecular Assemblies," J. Am. Chem. Soc., 123, 9264-9267 (2001). (PDF)

517. Matthew J. Walker, Bruce N. Hietbrink, Bert E. Thomas IV, Kensuke Nakamura, E. Adam Kallel, and K. N. Houk: "Torquoselectivity Induced by Lone-Pair Conjugation in the Electrocyclic Reactions of 1-Azapolyenes," J. Org. Chem., 66, 6669-6672 (2001). (PDF)

518. S. Bahmanyar and K. N. Houk: "Transition States of Amine-Catalyzed Aldol Reactions Involving Enamine Intermediates: Theoretical Studies of Mechanism, Reactivity, and Stereoselectivity," J. Am. Chem. Soc., 123, 11273-11283 (2001). (PDF)

519. Ilyas Washington and K. N. Houk: "CH---O Hydrogen Bonding Influences pi-Facial Stereoselective Epoxidations," Angew. Chem. Int. Ed. Engl., 40, 4485-4488 (2001). (PDF)

520. S. Bahmanyar and K. N. Houk: "The Origin of Stereoselectivity in Proline-Catalyzed Intramolecular Aldol Reactions," J. Am. Chem. Soc., 123, 12911-12912 (2001). (PDF)

521. Dean J. Tantillo and K. N. Houk: "Transition State Docking: A Probe for Noncovalent Catalysis in Biological Systems. Application to Antibody-Catalyzed Ester Hydrolysis," J. Comp. Chem., 23, 84-95 (2002). (PDF)

522. Andrew G. Leach, Saron Catak, and K. N. Houk: "Mechanism of the Forbidden [3s,5s]-Sigmatropic Shift: Orbital Symmetry Influences Stepwise Mechanisms Involving Diradical Intermediates," Chem. Eur. J., 8, 1290-1299 (2002). (PDF)

523. H. Isobe, Y. Takano, Y. Kitagawa, T. Kawakami, S. Yamanaka, K. Yamaguchi, and K. N. Houk: "Extended Hartree-Fock (EHF) Theory of Chemical Reactions VI: Hybrid DFT and Post-Hartree-Fock Approaches for Concerted and Non-Concerted Transition Structures of the Diels-Alder Reaction," Mol. Phys., 100, 717-727 (2002).

524. Andrew G. Leach and K. N. Houk: "Diels-Alder and Ene Reactions of Singlet Oxygen, Nitroso Compounds and Triazolinediones: Transition States and Mechanisms from Contemporary Theory," Chem. Comm., 1243-1255 (2002). (PDF)

525. Carina E. Cannizzaro and K. N. Houk: "Magnitudes and Chemical Consequences of R3N+ -C-H...O=C Hydrogen Bonding," J. Am. Chem. Soc., 124, 7163-7169 (2002). (PDF)

526. Susanna P. Kim, Andrew G. Leach, and K. N. Houk: "The Origins of Noncovalent Catalysis of Intermolecular Diels-Alder Reactions by Cyclodextrins, Self-Assembling Capsules, Antibodies, and RNAses," J. Org. Chem., 67, 4250-4260 (2002). (PDF)

527. Gregori Ujaque, Patrick S. Lee, K. N. Houk, Martin F. Hentemann, and Samuel J. Danishefsky: "The Origin of endo Stereoselectivity in Hetero-Diels-Alder Reactions of Aldehydes with ortho-Xylylenes: CH-pi, pi-pi, and Steric Effects on Stereoselectivity," Chem. Eur. J., 8, 3423-3430 (2002). (PDF)

528. Christopher P. Suhrada and K. N. Houk: "Potential Surface for the Quadruply Degenerate Rearrangement of Bicyclo[3.1.0]hex-2-ene," J. Am. Chem. Soc., 124, 8796-8797 (2002). (PDF)

529. Michael D. Bartberger, Wei Liu, Eleonora Ford, Katrina M. Miranda, Christopher Switzer, Jon M. Fukuto, Patrick J. Farmer, David A. Wink, and Kendall N. Houk: "The Reduction of Potential of Nitric Oxide (NO) and its Importance to NO Biochemistry," Proc. Natl. Acad. Sci. USA, 99, 10958-10963 (2002). (PDF)

530. Leif P. Olson, Keith T. Kuwata, Michael D. Bartberger, and K. N. Houk: "Conformation-Dependent State Selectivity in O-O Cleavage of ONOONO: An 'Inorganic Cope Rearrangement' Helps Explain the Observed Negative Activation Energy in the Oxidation of Nitric Oxide by Dioxygen," J. Am. Chem. Soc., 124, 9469-9475 (2002). (PDF)

531. Ilyas Washington and K. N. Houk: "Epoxidations by Peracid Anions in Water: Ambiphilic Oxenoid Reactivity and Stereoselectivity," Org. Lett., 4, 2661-2664 (2002). (PDF)

532. Sarah Wilsey and K. N. Houk: "'H/Vinyl' and 'Alkyl/Vinyl' Conical Intersections Leading to Carbene Formation from the Excited States of Cyclohexene and Norbornene," J. Am. Chem. Soc., 124, 11182-11190 (2002). (PDF)

533.Claus Schindele, K. N. Houk, and Herbert Mayr: "Relationships Between Carbocation Stabilities and Electrophilic Reactivity Parameters, E: Quantum Mechanical Studies of Benzhydryl Cation Structures and Stabilities," J. Am. Chem. Soc., 124, 11208-11214 (2002). (PDF)

534. John Limanto, John A. Tallarico, James R. Porter, Kelli S. Khuong, K. N. Houk, and Marc L. Snapper: "Intramolecular Cycloadditions of Cyclobutadiene with Olefins," J. Am. Chem. Soc., 124, 14748-14758 (2002). (PDF)

535. Andrew G. Leach and K. N. Houk: "The Ene Reactions of Nitroso Compounds Involve Polarized Diradical Intermediates," J. Am. Chem. Soc., 124, 14820-14821 (2002). (PDF)

536. Sarah Wilsey and K. N. Houk: "'H/Vinyl' Conical Intersections for Dienes: A Mechanism for the Photochemical Hula-Twist," Photochem. & Photobiol., 76, 616-621 (2002).

537. Gregori Ujaque, Joseph E. Norton, and K. N. Houk: "Electrostatic Interactions between Substituents as Regioselectivity Control Elements in Diels-Alder Cycloadditions. A DFT Study of Cycloadditions of 1-Methoxy-4-trimethylsiloxy Dienes with Acrylonitrile," J. Org. Chem., 67, 7179-7184 (2002). (PDF)

538. Xiyun Zhang, Qiaolin Deng, Sandy H. Yoo, and K. N. Houk: "Origins and Predictions of Stereoselective Antibody Catalysis: Theoretical Analysis of Diels-Alder Catalysis by 39A11 and Its Germ-Line Antibody," J. Org. Chem., 67, 9043-9053 (2002). (PDF)

539. Linh Hoang, S. Bahmanyar, K. N. Houk, and Benjamin List: "Kinetic and Stereochemical Evidence for the Involvement of Only One Proline Molecule in the Transition States of Proline-Catalyzed Intra- and Intermolecular Aldol Reactions," J. Am. Chem. Soc., 125, 16-17 (2003). (PDF)

540. Carina E. Cannizzaro, Jon A. Ashley, K. D. Janda, and K. N. Houk: "Experimental Determination of the Absolute Enantioselectivity of an Antibody-Catalyzed Diels-Alder Reaction and Theoretical Explorations of the Origins of Stereoselectivity," J. Am. Chem. Soc., 125, 2489-2506 (2003). (PDF)

541. Gregori Ujaque, Dean J. Tantillo, Yunfeng Hu, K. N. Houk, Kinya Hotta, and Donald Hilvert: "Catalysis on the Coastline: Theozyme, Molecular Dynamics, and Free Energy Perturbation Analysis of Antibody 21D8 Catalysis of the Decarboxylation of 5-Nitro-3-Carboxybenzisoxazole," J. Comput. Chem., 24, 98-110 (2003).

542. Mahmood M. Khaledy, Mohammad Y. S. Kalani, Kelli S. Khuong, K. N. Houk, Viktorya Aviyente, Reinhard Neier, Nicolas Soldermann, and Joerg Velker: "Origins of Boat or Chair Preferences in the Ireland-Claisen Rearrangements of Cyclohexeneyl Esters: A Theoretical Study," J. Org. Chem., 68, 572-577 (2003). (PDF)

543. Hiroshi Isobe, Yu Takano, Yasutaka Kitagawa, Takashi Kawakami, Syusuke Yamanaka, Kizashi Yamaguchi, and K. N. Houk: "Systematic Comparisons between Broken-Symmetry and Symmetry-Adapted Approaches to Transition States by Chemical Indices: A Case Study of the Diels-Alder Reactions," J. Phys. Chem. A., 107, 682-694 (2003). (PDF)

544. Zhi-Xiang Yu and K. N. Houk: "Why Trimerization? Computational Elucidation of the Origin of Selective Trimerization of Ethene Catalyzed by [TaCl3(CH3)2] and an Agostic-Assited Hydride Transfer Mechanism," Angew. Chem. Int. Ed., 42, 808-811 (2003). (PDF)

545. S. Bahmanyar, K. N. Houk, Harry J. Martin, and Benjamin List: "Quantum Mechanical Predictions of the Stereoselectivities of Proline-Catalyzed Asymmetric Intermolecular Aldol Reactions," J. Am. Chem. Soc., 125, 2475-2479 (2003). (PDF)

546. Leif P. Olson, Michael D. Bartberger, and K. N. Houk: "Peroxynitrate and Peroxynitrite: A Complete Basis Set Investigation of Similarities and Differences between These NOx Species," J. Am. Chem. Soc., 125, 3999-4006 (2003). (PDF)

547. Andrew G. Leach, Renxiao Wang, G. Erich, Wohlhieter, Saeed I. Khan, Michael E. Jung, and K. N. Houk: "Theoretical Elucidation of Kinetic and Thermodynamic Control of Radical Addition Regioselectivity," J. Am. Chem. Soc., 125, 4271-4278 (2003). (PDF)

548. S. Bahmanyar and K. N. Houk: "Origins of Opposite Absolute Stereoselectivities in Proline-Catalyzed Direct Mannich and Aldol Reactions," Org. Lett., 5, 1249-1251 (2003). (PDF)

549. Andrew G. Leach and K. N. Houk: "The Mechanism and Regioselectivity of the Ene Reactions of Nitroso Compounds: A Theoretical Study of Reactivity, Regioselectivity, and Kinetic Isotope Effects Establishes a Stepwise Path Involving Polarized Diradical Intermediates," Org. Biomol. Chem., 1, 1389-1403 (2003). (PDF)

550. Patrick S. Lee, Xiyun Zhang, and K. N. Houk: "Origins of Inward Torquoselectivity by Silyl Groups and Other s-Acceptors in Electrocyclic Reactions of Cyclobutenes," J. Am. Chem. Soc., 125, 5072-5079 (2003). (PDF)

551. Xiyun Zhang, K. N. Houk, Songnian Lin, and Samuel J. Danishefsky: "Mechanism of cis-Enamide Formation from N-(a-Silyl)allyl Amides: Synthetic Potential of Stepwise Dyotropic Rearrangements," J. Am. Chem. Soc., 125, 5111-5114 (2003). (PDF)

552. Kersey A. Black, Sarah Wilsey, and K. N. Houk: "Dissociative and Associative Mechanisms of Cope Rearrangements of Fluorinated 1,5-Hexadienes and 2,2'-Bis-methylenecyclopentanes," J. Am. Chem. Soc., 125, 6715-6724 (2003). (PDF)

553. Andrew G. Leach, E. Goldstein, and K. N. Houk: "A Cornucopia of Cycloadducts: Theoretical Predictions of the Mechanisms and Products of the Reactions of Cyclopentadiene with Cycloheptatriene," J. Am. Chem. Soc., 125, 8330-8339 (2003). (PDF)

554. Emanuel Vogel, Martin Michels, Lars Zander, Johann Lex, Nurcan S. Tuzun, and Kendall N. Houk: "Spirodiporphyrins - As Binuclear Metal Complexes," Angew. Chem. Int. Ed., 42, 2857-2862 (2003). (PDF)

555. N. S. Tuzun, V. Aviyente, and K. N. Houk: "A Theoretical Study on the Mechanism of the Cyclopolymerization of Diallyl Monomers," J. Org. Chem., 68, 6369-6374 (2003). (PDF)

556. Ilyas Washington and K. N. Houk: "Strategies for the Design of Organic Aziridination Reagents and Catalysts: Transition Structures for Alkene Aziridinations by NH Transfer," J. Org. Chem., 68, 6497-6501 (2003). (PDF)

557. Patrick S. Lee, Shogo Sakai, Peter Horstermann, Wolfgang R. Roth, E. Adam Kallel, and K. N. Houk: "Altering the Allowed/Forbidden Gap in Cyclobutene Electrocyclic Reactions: Experimental and Theoretical Evaluations of the Effect of Planarity Constraints," J. Am. Chem. Soc., 125, 5839-5848 (2003). (PDF)

558. Michael E. Jung, Alexandra van den Heuvel, Andrew G. Leach, and K. N. Houk: "Unexpected Syn Hydride Migration in the Non-aldol Aldol Reaction," Org. Lett., 5, 3375-3378 (2003). (PDF)

559. Jennifer Y. Cho, Andrew Dutton, Tom Miller, K. N. Houk, and Jon M. Fukuto: "Oxidation of N-hydroxyguanidines by Copper(II): Model Systems for Elucidating the Physiological Chemistry of the Nitric Oxide Biosynthetic Intermediate N-hydroxyl-L-arginine," Archives of Biochem. and Biophys., 417, 65-76 (2003).

560. Fredrik Haeffner, K. N. Houk, Suzanne M. Schulze, and Jeehiun K. Lee: "Concerted Rearrangement versus Heterolytic Cleavage in Anionic [2,3]- and [3,3]-Sigmatropic Shifts. A DFT Study of Relationships among Anion Stabilities, Mechanisms, and Rates," J. Org. Chem., 68, 2310-2316 (2003). (PDF)

561. K. N. Houk, Bruce N. Hietbrink, Michael D. Bartberger, Patrick R. McCarren, Bo Yoon Choi, Robert D. Voyksner, Jonathan S. Stamler, and Eric J. Toone: "Nitroxyl Disulfides, Novel Intermediates in Transnitrosation Reactions," J. Am. Chem. Soc., 125, 6972-6976 (2003). (PDF)

562. Xueyong Zhu, Andreas Heine, Frederic Monnat, K. N. Houk, Kim D. Janda, and Ian A. Wilson: "Structural Basis for Antibody Catalysis of a Cationic Cyclization Reaction," J. Mol. Biol., 329, 69-83 (2003).

563. Daniel A. Singleton, Chao Hang, Michael J. Szymanski, Matthew P. Meyer, Andrew G. Leach, Keith T. Kuwata, Jenny S. Chen, Alexander Greer, Christopher S. Foote, and K. N. Houk: "Mechanism of Ene Reactions of Singlet Oxygen. A Two-Step No-Intermediate Mechanism," J. Am. Chem. Soc., 125, 1319-1328 (2003). (PDF)

564. K. N. Houk, Andrew G. Leach, Susanna P. Kim, Xiyun Zhang: "Binding Affinities of Host-Guest, Protein-Ligand, and Protein-Transition-State Complexes," Angew. Chem. Int. Ed., 42, 4872-4897 (2003). (PDF)

565. Zhi-Xiang Yu and K. N. Houk: "Intramolecular 1,3-Dipolar Ene Reactions of Nitrile Oxides Occur by Stepwise 1,1-Cycloaddition/Retro-Ene Mechanisms," J. Am. Chem. Soc., 125, 13825-13830 (2003). (PDF)

566. Kelli S. Khuong and K. N. Houk: "One-Bond, Two-Bond, and Three-Bond Mechanisms in Thermal Deazetizations of 2,3-Diazabicyclo[2.2.2]oct-2-enes, trans-Azomethane, and 2,3-Diazabicyclo[2.2.1]hept-2-ene," J. Am. Chem. Soc., 125, 14867-14883 (2003). (PDF)

567. Diana S. Hamilton, Xiyun Zhang, Zhebo Ding, Ina Hubatsch, K. N. Houk, Bruce Ganem and Donald J. Creighton: "Mechanism of the Glutathione Transferase-Catalyzed Conversion of Antitumor 2-Crotonyloxymethyl-2-cycloalkenones to GSH Adducts," J. Am. Chem. Soc., 125, 15049-15058 (2003). (PDF)

568. Michael Prakesch, Danielle GrŽe, RenŽ GrŽe, Jennifer Carter, Ilyas Washington, and K. N. Houk: "Stereoselectivity of Nitrile Oxide Cycloadditions to Chiral Allylic Fluorides: Experiment and Theory," Chem. Eur. J., 9, 5664-5672 (2003). (PDF)

569. Zhi-Xiang Yu, Pierluigi Caramella, and K. N. Houk: "Dimerizations of Nitrile Oxides to Furoxans Are Stepwise via Dinitrosoalkene Diradicals: A Density Functional Theory Study," J. Am. Chem. Soc., 125, 15420-15425 (2003). (PDF)

570. John Limanto, Kelli S. Khuong, K. N. Houk, and Marc L. Snapper: "Intramolecular Cycloadditions of Cyclobutadiene with Dienes: Experimental and Computational Studies of the Competing (2 + 2) and (4 + 2) Modes of Reaction," J. Am. Chem. Soc., 125, 16310-16321 (2003). (PDF)

571. Grigoriy Vayner, K. N. Houk, and Y.-K. Sun: "Origins of Enantioselectivity in Reductions of Ketones on Cinchona Alkaloid Modified Platinum," J. Am. Chem. Soc., 126, 199-203 (2004). (PDF)

572. V. Maggiotti, S. Bahmanyar, M. Reiter, M. Resmini, K. N. Houk, and V. Gouverneur: "Unusual Reversal of Regioselectivity in Antibody-Mediated Aldol Additions with Unsymmetrical Methyl Ketones," Tetrahedron, 60, 619-632 (2004).

573. Vildan Guner, Kelli S. Khuong, Andrew G. Leach, Patrick S. Lee, Michael D. Bartberger, and K. N. Houk: "A Standard Set of Pericyclic Reactions of Hydrocarbons for the Benchmarking of Computational Methods: The Performance of ab Initio, Density Functional, CASSCF, CASPT2, and CBS-QB3 Methods for the Prediction of Activation Barriers, Reaction Energetics, and Transition State Geometries," J. Phys. Chem A., 107, 11445-11459 (2003). (PDF)

574. Andrew S. Dutton, Jon M. Fukuto, and K. N. Houk: "Mechanisms of HNO and NO Production from Angeli's Salt: Density Functional and CBS-QB3 Theory Predictions," J. Am. Chem. Soc., 126, 3795-3800 (2004). (PDF)

575. Dean J. Tantillo, Roald Hoffmann, Kendall N. Houk, Eric C. Brown, and Daven K. Henze: "Extended Barbaralanes: Sigmatropic Shiftamers or sigma-Polyacenes?" J. Am. Chem. Soc., 126, 4256-4263 (2004). (PDF)

576. Vildan A. Guner, Kelli S. Khuong, K. N. Houk, Anthony Chuma, and Peter Pulay: "The Performance of the Handy/Cohen Functionals, OLYP and O3LYP, for the Computation of Hydrocarbon Pericyclic Reaction Activation Barriers," J. Phys. Chem. A, 108, 2959-2965 (2004). (PDF)

577. Travis Dudding and Kendall N. Houk: "Computational Predictions of Stereochemistry in Asymmetric Thiazolium- and Triazolium-Catalyzed Benzoin Condensations," Proc. Natl. Acad. Sci. USA, 101, 5770-5775 (2004). (PDF)

578. Ian W. Davies, Jean-Francois Marcoux, Jeffery T. Kuethe, Michael D. Lankshear, Jeremy D. O. Taylor, Nancy Tsou, Peter G. Dormer, David L. Hughes, K. N. Houk, and Vildan Guner: "Demonstrating the Synergy of Synthetic, Mechanistic, and Computational Studies in a Regioselective Aniline Synthesis," J. Org. Chem., 69, 1298-1308 (2004). (PDF)

579. Ilyas Washington, K. N. Houk, and Alan Armstrong: "Strategies for the Design of Organic Aziridination Reagents and Catalysts: Transition Structures for Alkene Aziridinations by NH Transfer," J. Org. Chem., 68, 6497-6501 (2003). (PDF)

580. Andrew S. Dutton, Jon M. Fukuto, and K. N. Houk: "The Mechanism of NO Formation from the Decomposition of Dialkylamino Diazeniumdiolates: Density Functional Theory and CBS-QBS Predictions," Inorg. Chem., 43, 1039-1045 (2004). (PDF)

581. Ian W. Davies, Vildan A. Guner, and K. N. Houk: "Theoretical Evidence for Oxygenated Intermediates in the Reductive Cyclization of Nitrobenzenes," Org. Lett., 6, 743-746 (2004). (PDF)

582. Raffaella D'Auria, Richard P. Turco, and K. N. Houk: "Effects of Hydration on the Properties of Protonated-Water-Nitric Acid Clusters," J. Phys. Chem. A, 108, 3756-3765 (2004). (PDF)

583. Michael Bendikov, K. N. Houk, Hieu M. Duong, Kyle Starkey, Emily A. Carter, and Fred Wudl: "Oligoacenes: Theoretical Prediction of Open-Shell Singlet Diradical Ground States," J. Am. Chem. Soc., 126, 7416-7417 (2004). Correction: J. Am. Chem. Soc., 126, 10493 (2004). (PDF)

584. Audrey Auffrant, Bernhard Jaun, Peter D. Jarowski, Kendall N. Houk, and Francois Diederich: "Peralkynylated Buta-1,2,3-Trienes: Exceptionally Low Rotational Barriers of Cumulenic C=C Bonds in the Range of Those of Peptide C-N Bonds," Chem. Eur. J., 10, 2906-2911 (2004). (PDF)

585. K. N. Houk, Dean J. Tantillo, Courtney Stanton, and Yunfeng Hu: "What Have Theory and Crystallography Revealed About the Mechanism of Catalysis by Orotidine Monophosphate Decarboxylase?" Top. Curr. Chem., 238, 1-22 (2004). DOI 10.1007/b94536

586. Grigoriy Vayner, K. N. Houk, William L. Jorgensen, and John I. Brauman: "Steric Retardation of SN2 Reactions in the Gas Phase and Solution," J. Am. Chem. Soc., 126, 9054-9058 (2004). (PDF)

587. Dean J. Tantillo and K. N. Houk: "Theozymes and Catalyst Design" in Stimulating Concepts in Chemistry, Fritz Vogtle, J. Fraser Stoddart, and Masakatsu Shibasaki, eds., Weinheim, Germany: Wiley-VCH, 2000.

588. Kersey A. Black, Andrew G. Leach, M. Yashar S. Kalani, and K. N. Houk: "Antibody-Catalyzed Oxy-Cope Rearrangement: Mechanism and Origins of Catalysis and Stereoselectivity from DFT Quantum Mechanics and Flexible Docking," J. Am. Chem. Soc., 126, 9695-9708 (2004). (PDF)

589. K. N. Houk and Benjamin List: "Guest Editorial: Asymmetric Organocatalysis," Acc. Chem. Res., 37, 487-487 (2004). (PDF)

590. Christophe Allemann, Ruth Gordillo, Fernando R. Clemente, Paul Ha-Yeon Cheong, and K. N. Houk: "Theory of Asymmetric Organocatalysis of Aldol and Related Reactions: Rationalizations and Predictions," Acc. Chem. Res., 37, 558-569 (2004). (PDF)

591. Zhi-Xiang Yu, Paul A. Wender, and K. N. Houk: "On the Mechanism of [Rh(CO)2Cl]2-Catalyzed Intermolecular (5 + 2) Reactions between Vinylcyclopropanes and Alkynes," J. Am. Chem. Soc., 126, 9154-9155 (2004). (PDF)

592. Carina E. Cannizzaro and K. N. Houk: "Theoretical Study of the Stereoselective Additions of Chiral Alcohols to Ketenes," J. Am .Chem. Soc., 126, 10992-11008 (2004). (PDF)

593. Yi-Lei Zhao, K. N. Houk, Dalit Rechavi, Alessandro Scarso, and Julius Rebek, Jr.: "Equilibrium Isotope Effects as a Probe of Nonbonding Attractions," J. Am. Chem. Soc., 126, 11428-11429 (2004). (PDF)

594. Michael Prakesch, Erwan Kerouredan, Danielle Gree, Rene Gree, Jason DeChancie, and K. N. Houk: "The Propargylic Route as Efficient Entry to Monofluoro and Gem-Difluoro Compounds: Mechanistic Considerations," J. Fluorine Chem., 125, 537-541 (2004).

595. Andrew G. Leach, K. N. Houk, and Jean-Louis Reymond: "Theoretical Investigation of the Origins of Catalysis of a Retro-Diels-Alder Reaction by Antibody 10F11," J. Org. Chem., 69, 3683-3692 (2004). (PDF)

596. Yunfeng Hu, K. N. Houk, Kazuya Kikuchi, Kinya Hotta, and Donald Hilvert: "Nonspecific Medium Effects Versus Specific Group Positioning in the Antibody and Albumin Catalysis of the Base-Promoted Ring-Opening Reactions of Benzisoxazoles," J. Am. Chem. Soc., 126, 8197-8205 (2004). (PDF)

597. Yilei Zhao, K. N. Houk, and Leif P. Olson: "Mechanisms of Peroxynitrous Acid and Methyl Peroxynitrite, ROONO (R = H, Me), Rearrangements: A Conformation-Dependent Homolytic Dissociation," J. Phys. Chem. A, 108, 5864-5871 (2004). (PDF)

598. Nurcan Tuzun, Viktorya Aviyente, and K. N. Houk: "Theoretical Study of Factors Controlling Rates of Cyclization of Radical Intermediates from Diallylamine and Diallylammonium Monomers in Radical Polymerizations," J. Org. Chem., 67, 5068-5075 (2002). (PDF)

599. Fernando R. Clemente and K. N. Houk: "Computational Proof of the Enamine Mechanism of Intramolecular Aldol Reactions Catalyzed by Proline," Angew. Chem. Int. Ed., 43, 5766-5768 (2004). (PDF)

600. Xiyun Zhang and Kendall N. Houk: "Why Enzymes Are Proficient Catalysts: Beyond the Pauling Paradigm," Acc. Chem. Res., 38, 379-385 (2005). (PDF)

601. Kelli S. Khuong, Walter H. Jones, William A. Pryor, and K. N. Houk: "The Mechanism of the Self-Initiated Thermal Polymerization of Styrene. Theoretical Solution of a Classic Problem," J. Am. Chem. Soc., 1265-1277 (2005). (PDF)

602. Xiyun Zhang, Kendall N. Houk, and James L. Leighton: "Origins of Stereoselectivity in Strain-Release Allylations," Angew Chem. Int. Ed., 44, 938-941 (2005). (PDF)

603. Dean J. Tantillo, Andrew G. Leach, Xiyun Zhang, and K. N. Houk: "Theoretical Studies of Antibody Catalysis," in Catalytic Antibodies, Ehud Keinan, ed., Weinheim, Germany: Wiley-VCH, 2004, pp. 72-117.

604. Zeve R. Akerling, Joseph E. Norton, and K. N. Houk: "DFT Study of Pericyclic Reaction of Cascades in the Synthesis of Antibiotic TAN-1085," Org. Lett., 6, 4273-4275 (2004). (PDF)

605. Paul Ha-Yeon Cheong and K. N. Houk: "Origins of Selectivities in Proline-Catalyzed a-Aminoxylations," J. Am. Chem. Soc., 126, 13912-13913 (2004). (PDF)

606. Vildan Adar Guner, K. N. Houk, and Ian W. Davies: "Computational Studies on the Electrocyclizations of 1-Amino-1,3,5-hexatrienes," J. Org. Chem., 69, 8024-8028 (2004). (PDF)

607. Michael E. Jung, Sun-Joon Min, K. N. Houk, and Daniel Ess: "Synthesis and Relative Stability of 3,5-Diacyl-4,5-dihydro-1H-pyrazoles Prepared by Dipolar Cycloaddition of Enones and a-Diazoketones," J. Org. Chem., 69, 9085-9089 (2004). (PDF)

608. Paul Ha-Yeon Cheong, K. N. Houk, Jayakumar S. Warrier, Stephen Hanessian: "Catalysis of the Hajos - Parrish - Eder - Sauer - Wiechert Reaction by cis- and trans-4,5-Methanoprolines: Sensitivity of Proline Catalysis to Pyrrolidine Ring Conformation," Adv. Synth. & Cat., 346, 1111-1115 (2004). (PDF)

609. Bruce N. Hietbrink, Dean J. Tantillo, Kendall N. Houk, and Craig A. Merlic: "Chromium Tricarbonyl-Coordinated Carbocations," in Carbocation Chemistry, George A. Olah and G. K. Surya Prakash, eds., Hoboken, NJ: Wiley Interscience, 2004, pp. 279-289.

610. Sigal Saphier, Yunfeng Hu, Subhash C. Sinha, K. N. Houk, and Ehud Keinan: " Origin of Selectivity in the Antibody 20F10-Catalyzed Yang Cyclization," J. Am. Chem. Soc., 127, 132-145 (2005). (PDF)

611. Katrina M. Miranda, Andrew S. Dutton, Lisa A. Ridnour, Christian A. Foreman, Eleonora Ford, Nazareno Paolocci, Tatsuo Katori, Carlo G. Tocchetti, Daniele Mancardi, Douglas D. Thomas, Michael G. Espey, K. N. Houk, Jon M. Fukuto, and David A. Wink: "Mechanism of Aerobic Decomposition of Angeli's Salt (Sodium Trioxodinitrate) at Physiological pH," J. Am. Chem. Soc., 127, 722-731 (2005). (PDF)

612. Jon M. Fukuto, Andrew S. Dutton, Kendall N. Houk: "The Chemistry and Biology of Nitroxyl (HNO): A Chemically Unique Species with Novel and Important Biological Activity," ChemBioChem, 6, 612-619 (2005). (PDF)

613. Yu Takano and K. N. Houk: "Benchmarking the Conductor-like Polarizable Continuum Model (CPCM) for Aqueous Solvation Free Energies of Neutral and Ionic Organic Molecules," J. Chem. Theory & Comp., 1, 70-77 (2005). (PDF)

614. Avril R. Williams, Brian H. Northrop, Kendall N. Houk, J. Fraser Stoddart, and David J. Williams: "The Influence of Constitutional Isomerism and Change on Molecular Recognition Processes," Chem. Eur. J., 10, 5406-5421 (2004). (PDF)

615. Peter D. Jarowski, Francois Diederich, and K. N. Houk: "Structures and Stabilities of Diacetylene-Expanded Polyhedranes by Quantum Mechanics and Molecular Mechanics," J. Org. Chem., 70, 1671-1678 (2005). (PDF)

616. Kelli S. Khuong, Chris M. Beaudry, Dirk Trauner, and K. N. Houk: "Dienophile Twisting and Substituent Effects Influence Reaction Rates of Intramolecular Diels-Alder Cycloadditions: A DFT Study," J. Am. Chem. Soc., 127, 3688-3689 (2005). (PDF)

617. Joseph E. Norton and K. N. Houk: "Electronic Structures and Properties of Twisted Polyacenes," J. Am. Chem. Soc., 127, 4162-4163 (2005). (PDF)

618. Pierluigi Caramella, Paolo Quadrelli, Lucio Toma, Silvano Romano, Kelli S. Khuong, Brian Northrop, and K. N. Houk: "The Three Corrugated Surfaces of 1,4-Divinyltetramethylene Diradical Intermediates and Their Connections to 1,2-Divinylcyclobutane, 4-Vinylcyclohexene, 1,5-Cyclooctadiene, and Two Butadienes," J. Org. Chem., 70, 2994-3008 (2005). (PDF)

619. Jon M. Fukuto, Michael D. Bartberger, Andrew S. Dutton, Nazareno Paolocci, David A. Wink, and K. N. Houk: "The Physiological Chemistry and Biological Activity of Nitroxyl (HNO): The Neglected, Misunderstood, and Enigmatic Nitrogen Oxide," Chem. Res. Toxicol., 18, 790-801 (2005). (PDF)

620. Yi-Lei Zhao, Michael D. Bartberger, Kei Goto, Keiichi Shimada, Takayuki Kawashima, and K. N. Houk: "Theoretical Evidence for Enhanced NO Dimerization in Aromatic Hosts: Implications for the Role of the Electrophile (NO)2 in Nitric Oxide Chemistry," J. Am. Chem. Soc., 127, 7964-7965 (2005). (PDF)

621. Christopher P. Suhrada, Cenk Selcuki, Maja Nendel, Carina Cannizzaro, K. N. Houk, Peter-Jurgen Rissing, Dirk Baumann, Dieter Hasselmann: "Dynamic Effects on [3,3] and [1,3] Shifts of 6-Methylenebicyclo[3.2.0]hept-2-ene," Angew. Chem. Int. Ed., 44, 3548-3552 (2005). (PDF)

622. Paul Ha-Yeon Cheong and K. N. Houk: "Origins and Predictions of Stereoselectivity in Intramolecular Aldol Reactions Catalyzed by Proline Derivatives," Synthesis, 9, 1533-1537 (2005). (PDF)

623. Andrew S. Dutton, Jon M. Fukuto, and Kendall N. Houk: "Theoretical Reduction Potentials for Nitrogen Oxides from CBS-QB3 Energetics and (C)PCM Solvation Calculations," Inorg. Chem., 44, 4024-4028 (2005). (PDF)

624. Gavin O. Jones, Daniel H. Ess, and Kendall N. Houk: "Activation Energies and Reaction Energetics for 1,3-Dipolar Cycloadditions of Hydrazoic Acid with C-C and C-N Multiple Bonds from High-Accuracy and Density Functional Quantum Mechanical Calculations," Helvetica Chimica Acta, 7, 1702-1710 (2005). (PDF)

625.Yi Liu, Scott A. Vignon, Xiyun Zhang, K. N. Houk, and J. Fraser Stoddart: "Conformational Diastereoisomerism in a Chiral Pretzelane," Chem. Comm., 3927-3929, (2005).

626. Fernando R. Clemente and K. N. Houk: "Theoretical Studies of Stereoselectivities of Intramolecular Aldol Cyclizations Catalyzed by Amino Acids," J. Am. Chem. Soc., 127, 11294-11301 (2005). (PDF)

627. Gavin O. Jones, Vildan A. Guner, and K. N. Houk: "Diels-Alder Reactions of Cyclopentadiene and 9,10-Dimethylanthracene with Cyanoalkenes: The Performance of Density Functional Theory and Hartree-Fock Calculations for the Prediction of Substituent Effects," J. Phys. Chem. A, 110, 1216-1224 (2006). (PDF)

628.Andrew S. Dutton, Jon M. Fukuto, and K. N. Houk: "Quantum Mechanical Determinations of Reaction Mechanisms, Acid Base, and Redox Properties of Nitrogen Oxides and Their Donors," Methods in Enzymology, 396, 26-44 (2005).

629. Daniel H. Ess and K. N. Houk: "Activation Energies of Pericyclic Reactions: Performance of DFT, MP2, and CBS-QB3 Methods for the Prediction of Activation Barriers and Reaction Energetics of 1,3-Dipolar Cycloadditions, and Revised Activation Enthalpies for a Standard Set of Hydrocarbon Pericyclic Reactions," J. Phys. Chem. A., 109, 9542-9553 (2005). (PDF)

630. Ruth Gordillo, Jennifer Carter, and K. N. Houk: "Theoretical Explorations of Enantioselectivity Alkylation Reaction of Pyrroles and Indoles Organocatalyzed by Chiral Imidazolidinones," Adv. Synth. & Cat., 346, 1175-1185 (2005). (PDF)

631. Andrew G. Leach, K. N. Houk, Ian W. Davies: "The Origins of Periselectivity and Substituent Effects in Electrocyclizations of o-Nitrostyrenes: A Computational Study," Synthesis, 19, 3463-3467 (2005). (PDF)

632. Katrina M. Miranda, Tatsuo Katori, Claudia L. Torres de Holding, Lynta Thomas, Lisa A. Ridnour, William J. McLendon, Stephani M. Cologna, Andrew S. Dutton, Hunter c. Champion, Daniele Mancardi, Carlo G. Tocchetti, Joseph E. Saavedra, Larry K. Keefer, K. N. Houk, Jon M. Fukuto, David A. Kass, Nazareno Paolocci, and David A. Wink: "Comparison of the NO and HNO Donating Properties of Diazeniumdiolates: Primary Amine Adducts Release HNO in Vivo," J. Med. Chem., 48, 8220-8228 (2005). (PDF)

633. Y. Liu, S. A. Vignon, P. A. Bonvallet, S. I. Khan, K. N. Houk, and J. F. Stoddart: "Dynamic Chriality in Donor-Acceptor Prezelanes," J. Org. Chem., 70, 9334-9344 (2005). (PDF)

634. Xiyun Zhang and K. N. Houk: "Acid-Base Catalysis by Pure Water: The Aldol Reaction," J. Org. Chem., 70, 9712-9716 (2005). (PDF)

635. Yi-Lei Zhao, Walter H. Jones, Frederic Monnat, Fred Wudl, and K. N. Houk: "Mechanisms of Thermal Decomposition of Polysulfones: A DFT and CBS-QB3 Study," Macromolecules, 38, 10279-10285 (2005). (PDF)

636. Charles Doubleday, Christopher P. Suhrada, and K. N. Houk: "Dynamics of the Degenerate Rearrangement of Bicyclo[3.1.0]hex-2-ene," J. Am. Chem. Soc., 128, 90-94 (2006). (PDF)

637. Susumu Mitsumori, Haile Zhang, Paul Ha-Yeon Cheong, K. N. Houk, Fujie Tanaka, and Carlos F. Barbas, III: "Direct Asymmetric anti-Mannich-Type Reactions Catalyzed by a Designed Amino Acid," J. Am. Chem. Soc., 128, 1040-1041 (2006). (PDF)

638. Yi-Lei Zhao and K. N. Houk: "Thionitroxides, RSHNO¥: The Structure of the SNO Moiety in "S-Nitrosohemoglobin," A Possible NO Reservoir and Transporter," J. Am. Chem. Soc., 128, 1422-1423 (2006). (PDF)

639. C. Ozturk, V. Aviyente, and K. N. Houk: "Modeling the Stereoselectivity of the Johnson-Claisen Rearrangement in the Danishefsky Synthesis of Gelsemine," J. Org. Chem., 70, 7028-7034 (2005). (PDF)

640. Paul Ha-Yeon Cheong, Haile Zhang, Rajee Thayumanavan, Fujie Tanaka, K. N. Houk, and Carlos F. Barbas III: "Pipecolic Acid-Catalyzed Direct Asymmetric Mannich Reactions," Org. Lett., 8, 811-814 (2006). (PDF)

641. Susan N. Pieniazek and Kendall N. Houk: "The Origin of the Halogen Effect on Reactivity and Reversibility of Diels-Alder Cycloadditions Involving Furan," Ang. Chem. Int. Ed., 45, 1442-1445 (2006). (PDF)

642. Jennifer A. R. Luft, Zhi-Xiang Yu, David L. Hughes, Guy C. Lloyd-Jones, Shane W. Krska, and Kendall N. Houk: "On the Stability of the pi-Allyl Intermediate in Molybdenum-Catalyzed Asymmetric Alkylations," Tetrahedron: Asymmetry, 17, 716-724 (2006). (PDF)

643. Ruth Gordillo and K. N. Houk: "Origins of Stereoselectivity in Diels-Alder Cycloadditions Catalyzed by Chiral Imidazolidinones," J. Am. Chem. Soc., 128, 3543-3553 (2006). (PDF)

644. Paul Ha-Yeon Cheong, Heedong Yun, Samuel J. Danishefsky, and K. N. Houk: "Torsional Steering Controls the Stereoselectivity of Epoxidation in the Guanacastepene A Synthesis," Org. Lett., 8, 1513-1516 (2006). (PDF)

645. Brian H. Northrop, Daniel P. O'Malley, Alexandros L. Zografos, Phil S. Baran, and K. N. Houk: "Mechanism of the Vinylcyclobutane Rearrangement of Sceptrin to Ageliferin and Nagelamide E," Angew. Chem. Int. Ed., 45, 4126-4130 (2006). (PDF)

646. Branden Brough, Brian H. Northrop, Jacob J. Schmidt, Hsian-Rong Tseng, Kendall N. Houk, J. Fraser Stoddart, and Chih-Ming Ho: "Evaluation of Synthetic Linear Motor-Molecular Actuation Energetics, Proc. Natl. Acad. Sci. USA, 103, 8583-8588 (2006). (PDF)

647. P. D. Jarowski, F. Diederich, and K. N. Houk: "Butatrienes as Extended Alkenes: Barriers to Internal Rotation and Substitution Effects on the Stabilities of the Ground States and Transition States," J. Phys. Chem. A, 110, 7237-7246 (2006). (PDF)

648. Joseph E. Norton, Leif P. Olson, and K. N. Houk: "Theoretical Studies of Quantum Amplified Isomerizations for Imaging Systems Involving Hexamethyl Dewar Benzene and Related Systems," J. Am. Chem. Soc., 128, 7835-7845 (2006). (PDF)

649. Amy E. Hayden, Hao Xu, K. C. Nicolaou, and K. N. Houk: "Origins of Selectivity in Pericyclic Reaction Cascades for the Synthesis of Gambogin and Lateriflorone," Org. Lett., 8, 2989-2992 (2006). (PDF)

650. Arash Jabbari, Erik J. Sorensen, and K. N. Houk: "Transition States of the Retro-Ene Reactions of Allylic Diazenes," Org. Lett., 8, 3105-3107 (2006). (PDF)

651. Michelle Lee, Peter Lloyd, Xiyun Zhang, Julie M. Schallhorn, Keiki Sugimoto, Andrew G. Leach, Guillermo Sapiro, and K. N. Houk: "Shapes of Antibody Binding Sites: Qualitative and Quantitative Analyses Based on a Geomorphic Classification Scheme," J. Org. Chem., 71, 5082-5092 (2006). (PDF)

652. Robert G. Iafe and K. N. Houk: "Stereoselectivity Control by Torsional Steering in an Intramolecular Diels-Alder Reaction of Vinyl Oxocarbenium Ions," Org. Lett., 8, 3469-2372 (2006). (PDF)

653. Tinh-Alfredo V. Khuong, Gerardo Zepeda, Carlos N. Sanrame, Hung Dang, Michael D. Bartberger, K. N. Houk, and Miguel A. Garcia-Garibay: "Crankshaft Motion in a Highly Congested Bis(triarylmethyl)peroxide," J. Am. Chem. Soc., 126, 14778-14786 (2004). (PDF)

654. P. D. Jarowski, M. D. Wodrich, C. S. Wannere, P. v. R. Schleyer, and K. N. Houk: "How Large is the Conjugative Stabilization of Diynes?" J. Am. Chem. Soc., 126, 15036-15037 (2004). (PDF)

655. Yu Takano and K. N. Houk: "Conformational Preferences in the Transition States and Tetrahedral Intermediates of Transacylations. Relationships to Enzyme-Bound Conformations of Phosphonate Inhibitors of Lipases and Esterases," J. Phys. Chem. A, 108, 11740-11751 (2004). (PDF)

656. Liam C. Palmer, Yi-Lei Zhao, K. N. Houk, and Julius Rebek, Jr.: "Diastereoselection of Chiral Acids in a Cylindrical Capsule," Chem. Comm., 29, 3667-3669 (2005). (PDF)

657. Luis M. Campos, Manoj V. Warrier, Krisztina Peterfy, K. N. Houk, and Miguel A. Garcia-Garibay: "Secondary Alpha Isotope Effects on Deuterium Tunneling in Triplet o-Methylanthrones: Extraordinary Sensitivity to Barrier Width," J. Am. Chem. Soc., 127, 10178-10179 (2005). (PDF)

658. Yi-Lei Zhao, Patrick R. McCarren, K. N. Houk, Bo Yoon Choi, and Eric J. Toone: "Nitrosonium-Catalyzed Decomposition of S-Nitrosothiols in Solution: A Theoretical and Experimental Study," J. Am. Chem. Soc., 127, 10917-10924 (2005). (PDF)

659. Andrew S. Dutton, Christopher P. Suhrada, Katrina M. Miranda, David A. Wink, Jon M. Fukuto, and K. N. Houk: "Mechanism of pH-Dependent Decomposition of Monoalkylamine Diazeniumdiolates to Form HNO and NO, Deduced from the Model Compound Methylamine Diazeniumdiolate, Density Functional Theory, and CBS-QB3 Calculations," Inorg. Chem., 45, 2448-2456 (2006). (PDF)

660. Brian H. Northrop and K. N. Houk: "Vinylcyclobutane-Cyclohexene Rearrangement: Theoretical Exploration of Mechanism and Relationship to the Diels-Alder Potential Surface," J. Org. Chem., 71, 3-13 (2006). (PDF)

661. Joseph E. Norton, Alejandro L. Briseno, Fred Wudl, and K. N. Houk: "Lone-Pair Orbital Interactions in Polythiaadamantanes," J. Phys. Chem. A, 110, 9887-9899 (2006). (PDF)

662. Suzanne E. Paulson, De-Ling Liu, Grazyna E. Orzechowska, Luis M. Campos, and K. N. Houk: "Photolysis of Heptanal," J. Org. Chem., 71, 6403-6408 (2006). (PDF)

663. Yi-Lei Zhao, Christopher P. Suhrada, Michael E. Jung, and K. N. Houk: "Theoretical Investigation of the Stereoselective Stepwise Cope Rearrangement of a 3-Vinylmethylenecyclobutane," J. Am. Chem. Soc., 128, 11106-11113 (2006). (PDF)

664. Joseph E. Norton and K. N. Houk: "H/Vinyl Conical Intersections of Hexatrienes Related to the Hula-Twist Photoisomerization," Mol. Phys., 104, 993-1008 (2006). (PDF)

665. William A. Pryor, Kendall N. Houk, Christopher S. Foote, Jon M. Fukuto, Louis J. Ignarro, Giuseppe L. Squadrito, and Kelvin J. A. Davies: "Free Radical Biology and Medicine: It's a Gas, Man!" Amer. J. Physiology-Regulatory, Integrative, and Comparative Physiology, 291, R491-R511 (2006). (PDF)

666. Albert Padwa, Kenneth R. Crawford, Christopher S. Straub, Susan N. Pieniazek, and K. N. Houk: "Halo Substituent Effects on Intramolecular Cycloadditions Involving Furanyl Amides," J. Org. Chem., 71, 5432-5439 (2006). (PDF)

667. Shih-Ching Chuang, Fernando R. Clemente, Saeed I. Khan, K. N. Houk, and Yves Rubin: "Approaches to Open Fullerenes: A 1,2,3,4,5,6-Hexaadduct of C60," Org. Lett., 8, 4525-4528 (2006). (PDF)

668. Joseph E. Norton, Brian H. Northrop, Colin Nuckolls, and K. N. Houk: "Why 6-Methylpentacene Deconjugates but Avoids the Thermally Allowed Unimolecular Mechanism," Org. Lett., 8, 4915-4918 (2006). (PDF)

669. Naveen Gandra, Aaron T. Frank, Onica Le Gendre, Nahed Sawwan, David Aebisher, Joel F. Liebman, K. N. Houk, Alexander Greer, and Ruomei Gao: "Possible Singlet Oxygen Generation from the Photolysis of Indigo Dyes in Methanol, DMSO, Water, and Ionic Liquid, 1-butyl-3-methylimidazolium Tetrafluoroborate," Tetrahedron, 62, 10771-10776 (2006). (PDF)

670. Nicola Edwards, Roger Helgeson, Yi-Lei Zhao, and K. N. Houk: "Pyridine-Based Cavitands for Acid and Carboxylate Recognition," Mol. Cryst. Liq. Cryst., 456, 175-192 (2006).

671. Arash Jabbari and K. N. Houk: "Hetero-Cope Rearrangements of Nitrosobutenes. DFT Studies of Thermal and Acid-Catalyzed Reactions," Org. Lett., 8, 5975-5978 (2006). (PDF)

672. Chaitanya S. Wannere, Ankan Paul, Rainer Herges, K. N. Houk, Henry F. Schaeffer III, Paul von Rague Schleyer: "The Existence of Secondary Orbital Interactions," J. Comp. Chem., 28, 344-361 (2007). (PDF)

673. Ruth Gordillo, Travis Dudding, Christopher D. Anderson, and K. N. Houk: "Hydrogen Bonding Catalysis Operates by Charge Stabilization in Highly Polar Diels-Alder Reactions," Org. Lett., 9, 501-503 (2007). (PDF)

674. Jennifer A. R. Luft, Kieche Meleson, and K. N. Houk: "Transition Structures of Diastereoselective 1,3-Dipolar Cycloadditions of Nitrile Oxides to Chiral Homoallylic Alcohols," Org. Lett., 9, 555-558 (2007). (PDF)

675. Michael Winkler and K. N. Houk: "Nitrogen-Rich Oligoacenes: Candidates for n-Channel Orgnic Semiconductors," J. Am. Chem. Soc., 129, 1805-1815 (2007). (PDF)

676. Peter D. Jarowski, K. N. Houk, and Miguel Garcia-Garibay: "Importance of Correlated Motions on the Low Barrier Rotational Potentials of Crystalline Molecular Gyroscopes," J. Am. Chem. Soc., 129, 3110-3117 (2007). (PDF)

677. Yoshimitsu Itoh, K. N. Houk, and Koichi Mikami: "Experimental and Theoretical Studies on Radical Trifluoromethylation of Titanium Ate and Lithium Enolates," J. Org. Chem., 71, 8918-8925 (2006). (PDF)

678. Daniel H. Ess, Gavin O. Jones, and K. N. Houk: "Conceptual, Qualitative, and Quantitative Theories of 1,3-Dipolar and Diels-Alder Cycloadditions Used in Synthesis," Adv. Synth. Catal., 348, 2337-2361 (2006). (PDF)

679. Mingji Dai, David Sarlah, Maolin Yu, Samuel J. Danishefsky, Gavin O. Jones, and K. N. Houk: "Highly Selective Diels-Alder Reactions of Directly Connected Enyne Dienophiles," J. Am. Chem. Soc., 129, 645-657 (2007). (PDF)

680. Nihan Celebi-Olcum, Daniel H. Ess, Viktorya Aviyente, and K. N. Houk: "Lewis Acid Catalysis Alters the Shapes and Products of Bis-Pericyclic Diels-Alder Transition States," J. Am. Chem. Soc., 129, 4528-4529 (2007). (PDF)

681. Robert A. Moss, Jingzhi Tian, Ronald R. Sauers, Daniel H. Ess, K. N. Houk, and Karsten Krogh-Jesperson: "The Synthesis of Dichlorodiazirine and the Generation of Dichlorocarbene: Spectroscopy and Structure of Dichlorocarbene Ylides," J. Am. Chem. Soc., 129, 5167-5174 (2007). (PDF)

682. Jason DeChancie and K. N. Houk: "The Origins of Femtomolar Protein-Ligand Binding: Hydrogen-Bond Cooperativity and Desolvation Energetics in the Biotin-(Strept)Avidin Binding Site," J. Am. Chem. Soc., 129, 5419-5429 (2007). (PDF)

683. Hakan Gunaydin, Orlando Acevedo, William L. Jorgensen, and K. N. Houk: "Computation of Accurate Activation Barriers for Methyl-Transfer Reactions of Sulfonium and Ammonium Salts in Aqueous Solution," J. Chem. Theory Comput., 3, 1028-1035 (2007). (PDF)

684. Dominique Leca, Francisca Gaggini, Jerome Cassayre, Olivier Loseleur, Susan N. Pieniazek, Jennifer A. R. Luft, and K. N. Houk: "Acid-Catalyzed Aza-Diels-Alder Reactions for the Total Synthesis of (+)-Lapati B," J. Org. Chem., 72, 4284-4287 (2007). (PDF)

685. Lucas Koziol, Michael Winkler, K. N. Houk, Sugumar Venkataramani, Wolfram Sander, and Anna I. Krylov: "The 1,2,3-Tridehydrobenzene Triradical: 2B or Not 2B? The Answer is 2A!," J. Phys. Chem. A, 111, 5071-5080 (2007). (PDF)

686. Jason DeChancie, Fernando R. Clemente, Adam J. T. Smith, Hakan Gunaydin, Yi-Lei Zhao, Xiyun Zhang, and K. N. Houk: "How Similar Are Enzyme Active Site Geometries Derived from Quantum Mechanical Theozymes to Crystal Structures of Enzyme-Inhibitor Complexes? Implications for Enzyme Design," Protein Science, 16, 1851-1866 (2007). (PDF)

687. Shuangyi Wan, Hakan Gunaydin, K. N. Houk, and Paul E. Floreancig: "An Experimental and Computational Approach to Defining Structure/Reactivity Relationships for Intramolecular Addition Reactions to Bicyclic Epoxonium Ions," J. Am. Chem. Soc., 129, 7915-7923 (2007). (PDF)

688. He-Ping Wu, Daniel H. Ess, Seren Lanza, Timothy J. R. Weakley, K. N. Houk, Kim K. Baldridge, and Michael M. Haley: "Rearrangement of Iridabenzvalenes to Iridabenzenes and/or 5-Cyclopentadienyliridium(I) Complexes: Experimental and Computational Analysis of the Influence of Silyl Ring Substituents and Phosphine Ligands," Organometallics, 26, 3957-3968 (2007). (PDF)

689. Emel Adaligil, Barry D. Davis, David G. Hilmey, Young Shen, Jason M. Spruell, Jennifer S. Brodbelt, K. N. Houk, and Leo A. Paquette: "Synthesis of, and Structural Assignments to the Stereoisomers of Bis (2,2')- and Tris (2,2',2' ')-Tetrahydrofurans: Conformational Features and Ionic Binding Capacities of These Gateway Polycyclic Networks," J. Org. Chem., 72, 6215-6223 (2007). Correction: J. Org. Chem., 72, 8614-8614 (2008). (PDF)

690. Matthew D. Wodrich, Chaitanya S. Wannere, Yirong Mo, Peter D. Jarowski, Kendall N. Houk, and Paul von Rague Schleyer: "The Concept of Protobranching and its Many Paradigm Shifting Implications for Energy Evaluations," Chem. Eur. J., 13, 7731-7744 (2007). (PDF)

691. Daniel H. Ess and K. N. Houk: "Distortion/Interaction Energy Control of 1,3-Dipolar Cycloaddition Reactivity," J. Am. Chem. Soc., 129, 10646-10647 (2007). (PDF)

692. Michael J. Eichberg, K. N. Houk, Jurg Lehmann, Philip W. Leonard, Anne Marker, Joseph E. Norton, Dorota Sawicka, K. Peter C. Vollhart, Glenn D. Whitener, Stefan Wolff: "The Thermal Retro[2+2+2]cycloaddition of Cyclohexane Activated by Triscyclobutenannelation: Concerted All-Disrotatory versus Stepwise Conrotatory Pathways to Fused [12]Annulenes," Angew. Chem. Int. Ed., 46, 6894-6898 (2007). (PDF)

693. Brian H. Northrop, Joseph E. Norton, and K. N. Houk: "On the Mechanism of Peripentacene Formation from Pentacene: Computational Studies of a Prototype for Graphene Formation from Smaller Acenes," J. Am. Chem. Soc., 129, 6536-6546 (2007). (PDF)

694. Arunkumar Natarajan, C. K. Tsai, Saeed I. Khan, Patrick McCarren, K. N. Houk, and Miguel A. Garcia-Garibay: "The Photoarrangement of alpha-Santonin is a Single-Crystal-to-Single-Crystal Reaction: A Long Kept Secret in Solid-State Organic Chemistry Revealed," J. Am. Chem. Soc., 129, 9846-9847 (2007). (PDF)

695. Sun-Joon Min, Gavin O. Jones, K. N. Houk, and Samuel J. Danishefsky: "Creating Quaternary Centers with High Exo Stereoselectivity Using Activated alpha-Alkynyl Dienophiles," J. Am. Chem. Soc., 129, 10078-10079 (2007). (PDF)

696. Zhongfang Chen, De-en Jiang, Xin Lu, Holger F. Bettinger, Sheng Dai, Paul von Rague Schleyer, and K. N. Houk: "Open-Shell Singlet Character of Cyclacenes and Short Zigzag Nanotubes," Org. Lett., 9, 5449-5452 (2007). (PDF)

697. Haile Zhang, Susumu Mitsumori, Naoto Utsumi, Masanori Imai, Noemi Garcia-Delgado, Maria Mifsud, Klaus Albertshofer, Paul Ha-Yeon Cheong, K. N. Houk, Fujie Tanaka, and Carlos F. Barbas: "Catalysis of 3-Pyrrolidinecarboxylic Acid and Related Pyrrolidine Derivatives in Enantioselective anti-Mannich-Type Reactions: Importance of the 3-Acid Group on Pyrrolidine for Stereocontrol," J. Am. Chem. Soc., 130, 875-886 (2007). (PDF)

698. Claude Y. Legault, Yeimy Garcia, Craig A. Merlic, and K. N. Houk: "Origin of Regioselectivity in Palladium-Catalyzed Cross-Coupling Reactions of Polyhalogenated Heterocycles," J. Am. Chem. Soc., 129, 12664-12665 (2007). (PDF)

699. David M. Bender, Jeffrey A. Peterson, James R. McCarthy, Hakan Gunaydin, Yu Takano, and K. N. Houk: "Cyclopropanecarboxylic Acid Esters as Potential Prodrugs with Enhanced Hydrolytic Stability," Org. Lett., 10, 509-511 (2008). (PDF)

700. Zhi-Xiang Yu, Paul Ha-Yeon Cheong, Peng Liu, Claude Y. Legault, Paul A. Wender, and K. N. Houk: "Origins of Differences in Reactivities of Alkenes, Alkynes, and Allenes in [Rh(CO)2Cl]2-Catalyzed (5 + 2) Cycloaddition Reactions with Vinylcyclopropanes," J. Am. Chem. Soc., 130, 2378-2379 (2008). (PDF)

701. Gavin O. Jones and K. N. Houk: "Predictions of Substituent Effects in Thermal Azide 1,3-Dipolar Cycloadditions: Implications for Dynamic Combinatorial (Reversible) and Click (Irreversible) Chemistry," J. Org. Chem., 73, 1333-1342 (2008). (PDF)

702. Robert G. Iafe and K. N. Houk: "Intramolecular Hetero-Diels-Alder Reactions of Imine and Iminium Dienophiles: Quantum Mechanical Exploration of Mechanisms and Stereoselectivties," J. Org. Chem., 7, 2679-2686 (2008). (PDF)

703. Paul Ha-Yeon Cheong, Philip Morganelli, Michael R. Luzung, K. N. Houk, and F. Dean Toste: "Gold-Catalyzed Cycloisomerization of 1,5-Allenynes via Dual Activation of an Ene Reaction," J. Am. Chem. Soc., 130, 4517-4526 (2008). (PDF)

704. Daniel H. Ess, Gavin O. Jones, and K. N. Houk: "Transition States of Strain-Promoted Metal-Free Click Chemistry: 1,3-Dipolar Cycloadditions of Phenyl Azide and Cyclooctynes," Org. Lett., 10, 1633-1636 (2008). (PDF)

705. K. N. Houk, Arash Jabbari, H. K. Hall Jr., and Carlos Aleman: "Why delta-Valerolactone Polymerizes and gamma-Butyrolactone Does Not," J. Org. Chem., 73, 2674-2678 (2008). (PDF)

706. Hakan Gunaydin, K. N. Houk, and Vidvid Ozolins: "Vacancy-Mediated Dehydrogenation of Sodium Alanate," Proc. Natl. Acad. Sci. USA, 105, 3673-3677 (2008). (PDF)

707. Lin Jiang, Eric A. Althoff, Fernando R. Clemente, Lindsey Doyle, Daniela Rothlisberger, Alexandre Zanghellini, Jasmine L. Gallaher, Jamie L. Betker, Fujie Tanaka, Carlos F. Barbas, III, Donald Hilvert, Kendall N. Houk, Barry L. Stoddard, and David Baker: "De Novo Computational Design of Retro-Aldol Enzymes," Science, 319, 1387-1391 (2008). (PDF)

708. Steven E. Wheeler, Daniel H. Ess, and K. N. Houk: "Thinking Out of the Black Box: Accurate Barrier Heights of 1,3-Dipolar Cycloadditions of Ozone with Acetylene and Ethylene," J. Phys. Chem. A, 112, 1798-1807 (2008). (PDF)

709. Xiyun Zhang, Jason DeChancie, Hakan Gunaydin, Arnab B. Chowdry, Fernando R. Clemente, Adam J. T. Smith, T. M. Handel, and K. N. Houk: "Quantum Mechanical Design of Enzyme Active Sites," J. Org. Chem., 73, 889-899 (2008). (PDF)

710. Mathew Tredwell, Jennifer R. Luft, Marie Schuler, Kenny Tenza, K. N. Houk, and Veronique Gouverneur: "Fluorine-Directed Diastereoselective Iodocyclizations," Angew. Chem. Int. Ed., 47, 357-360 (2008). (PDF)

711. Courtney L. Stanton, I-Feng W. Kuo, Christopher J. Munday, Teodoro Laino, and K. N. Houk: "QM/MM Metadynamics Study of the Direct Decarboxylation Mechanism for Orotidine-5'-monophosphate Decarboxylase Using Two Different QM Regions: Acceleration Too Smal to Explain Rate of Enzyme Catalysts,&qout; J. Phys. Chem. B, 111, 12573-12581 (2007). (PDF)

712. Peng Liu, Paul Ha-Yeon Cheong, Zhi-Xiang Yu, Paul A. Wender, and K. N. Houk: "Substituent Effects, Reactant Preorganization, and Ligand Exchange Control the Reactivity in Rh1-Catalyzed (5+2) Cycloadditions between Vinylcyclopropanes and Alkynes," Angew. Chem. Int. Ed., 47, 3939-3941 (2008). (PDF)

713. Daniela Rothlisberger, Olga Khersonsky, Andrew M. Wollacott, Lin Jiang, Jason DeChancie, Jamie Betker, Jasmine L. Gallaher, Eric A. Althoff, Alexandre Zanghellini, Orly Dym, Shira Albeck, Kendall N. Houk, Dan S. Tawfik, and David Baker: "Kemp Elimination Catalysts by Computational Enzyme Design," Nature, 453, 190-195 (2008). (PDF)

714. Fiona Murphy Kessabi, Tammo Winkler, Jennifer A. R. Luft, and K. N. Houk: "Rearrangement of a Cyclohexyl Radical to a Cyclopentylmethyl Radical on the Avermectin Skeleton," Org. Lett., 10, 2255-2258 (2008). (PDF)

715. Courtney L. Stanton and Kendall N. Houk: "Benchmarking pKa Prediction Methods for Residues in Proteins," J. Chem. Theory Comput., 4, 951-966 (2008). (PDF)

716. Philip J. Pye, Yong-Li Zhong, Gavin O. Jones, Robert A. Reamer, Kendall N. Houk, and David Askin: "A Polar Radical Pair Pathway to Assemble the Pyrimidinone Core of the HIV Integrase Inhibitor Raltegravir Potassium," Angew. Chem. Int. Ed., 47, 4134-4136 (2008). (PDF)

717. Christopher D. Anderson, Travis Dudding, Ruth Gordillo, and K. N. Houk: "Origin of Enantioselection in Hetero-Diels-Alder Reactions Catalyzed by Naphthyl-TADDOL," Org. Lett., 10, 2749-2753 (2008). (PDF)

718. Hakan Gunaydin and K. N. Houk: "Molecular Dynamics Simulation of the HOONO Decomposition and the HO*NO2* Caged Radical Pair in Water," J. Am. Chem. Soc., 130, 10036-10037 (2008). (PDF)

719. Elizabeth H. Krenske, K. N. Houk, Bruce A. Arndtsen, and Daniel J. St. Cyr: "Cyclic 1,3-Dipoles or Acyclic Phosphonium Ylides? Electronic Characterization of 'Montrealones,'" J. Am. Chem. Soc., 130, 10052-10053 (2008). (PDF)

720. Daniel H. Ess and K. N. Houk: "Theory of 1,3-Dipolar Cycloadditions: Distortion/Interaction and Frontier Molecular Orbital Models," J. Am. Chem. Soc., 130, 10187-10198 (2008). (PDF)

721. Joann M. Um, K. N. Houk, and Andrew J. Phillips: "Origin of Stereoselectivity in the Reduction of a Planar Oxacarbenium," Org. Lett., 10, 3769-3772 (2008). (PDF)

722. Steven E. Wheeler and K. N. Houk: "Substituent Effects in the Benzene Dimer are Due to Direct Interactions of the Substituents with the Unsubstituted Benzene," J. Am. Chem. Soc., 130, 10854-10855 (2008). (PDF)

723. Gavin O. Jones, Xuechen Li, Amy E. Hayden, K. N. Houk, and Samuel J. Danishefsky: "The Coupling of Isonitriles and Carboxylic Acids Occurring by Sequential Concerted Rearrangement Mechanisms," Org. Lett., 10, 4093-4096 (2008). (PDF)

724. Susan N. Pieniazek, Fernando R. Clemente, and Kendall N. Houk: "Sources of Error in DFT Computations of C-C Bond Formation Thermochemistries: Pi-Sigma Transformations and Error Cancellation by DFT Methods," Angew. Chem. Int. Ed., 47, 7746-7749 (2008). (PDF)

725. Daniel H. Ess, Steven E. Wheeler, Robert G. Iafe, Lai Xu, Nihan Celebi-Olcum, and Kendall N. Houk: "Bifurcations on Potential Energy Surfaces of Organic Reactions," Angew. Chem. Int. Ed., 47, 7592-7601 (2008). (PDF)

726. Daniel P. Canterbury, Alison J. Frontier, Joann M. Um, Paul H.-Y. Cheong, Dahlia A. Goldfeld, Richard A. Huhn, and K. N. Houk: "Origins of Stereoselectivity in the Oxido-Alkylidenation of Alkynes," Org. Lett., 10, 4597-4600 (2008). (PDF)

727. K. N. Houk and Paul Ha-Yeon Cheong: "Computational Prediction of Small-Molecule Catalysts," Nature, 455, 309-313 (2008). (PDF)

728. Felix Calderon, Elisa G. Doyaguez, Paul Ha-Yeon Cheong, Alfonso Fernandez-Mayoralas, and K. N. Houk: "Origins of the Double Asymmetric Induction on Proline-Catalyzed Aldol Reaction," J. Org. Chem., 73, 7916-7920 (2008). (PDF)

729. Ximin Li, Peng Liu, K. N. Houk, and Vladimir B. Birman: "Origin of Enantioselectivity in CF3-PIP-Catalyzed Kinetic Resolution of Secondary Benzylic Alcohols," J. Am. Chem. Soc., 130, 13836-13837 (2008). (PDF)

730. Andrew G. Leach, K. N. Houk, and Christopher S. Foote: "Theoretical Prediction of a Perepoxide Intermediate for the Reaction of Singlet Oxygen with trans-Cyclooctene Contrasts with the Two-Step No-Intermediate Ene Reaction for Acyclic Alkenes," J. Org. Chem., 73, 8511-8519 (2008). (PDF)

731. Hakan Gunaydin and K. N. Houk: "Molecular Dynamics Prediction of the Mechanism of Ester Hydrolysis in Water," J. Am. Chem. Soc., 130, 15232-15233. (PDF)

732. Lee M. Bishop, Michael Winkler, Kendall N. Houk, Robert G. Bergman, Dirk Trauner: "Mechanistic Investigations of the Acid-Catalyzed Cyclization of a Vinyl ortho-Quinone Methide," Chem. Eur. J., 14, 5405-5408 (2008). (PDF)

733. Hakan Gunaydin, Sergey V. Barabash, K. N. Houk, and V. Ozolins: "First-Principles Theory of Hydrogen Diffusion in Aluminum," Phys. Rev. Lett., 101, 075901 (2008). (PDF)

734. Nihan Celebi-Olcum, Daniel H. Ess, Viktorya Aviyente, and K. N. Houk: "Effect of Lewis Acid Catalysts on Diels-Alder and Hetero-Diels-Alder Cycloadditions Sharing a Common Transition State," J. Org. Chem., 73, 7472-7480 (2008). (PDF)

735. Daniel H. Ess, Amy E. Hayden, Frank-Gerrit Klarner, and K. N. Houk: "Transition States for the Dimerization of 1,3-Cyclohexadiene: A DFT, CASPT2, and CBS-QB3 Quantum Mechanical Investigation," J. Org. Chem., 73, 7586-7592 (2008). (PDF)

736. Jennifer A. R. Luft, Tammo Winkler, Fiona M. Kessabi, and K. N. Houk: "Substituent Effects on the Rearrangements of Cyclohexyl to Cyclopentyl Radicals Involving Avermectin-Related Radicals," J. Org. Chem., 73, 8175-8181 (2008). (PDF)

737. Michael N. Paddon-Row, Christopher D. Anderson, and K. N. Houk: "Computational Evaluation of Enantioselective Diels-Alder Reactions Mediated by Corey's Cationic Oxazaborolidine Catalysts," J. Org. Chem., 74, 861-868 (2009). (PDF)

738. Andrea Penoni, Giovanni Palmisano, Yi-Lei Zhao, Kendall N. Houk, Jerome Volkman, and Kenneth M. Nicholas: "On the Mechanism of Nitrosoarene-Alkyne Cycloaddition," J. Am. Chem. Soc., 131, 653-661 (2009). (PDF)

739. Yu-hong Lam, Paul Ha-Yeon Cheong, Jose M. Blasco Mata, Steven J. Stanway, Veronique Gouverneur, and K. N. Houk: "Diels-Alder Exo Selectivity in Terminal-Substituted Dienes and Dienophiles: Experimental Discoveries and Computational Explanations," J. Am. Chem. Soc., 131, 1947-1957 (2009). (PDF)

740. Steven E. Wheeler, K. N. Houk, Paul von Rague Schleyer, and Wesley D. Allen: "A Hierarchy of Homodesmotic Reactions for Thermochemistry," J. Am. Chem. Soc., 131, 2547-2560 (2009). (PDF)

741. David M. Hodgson, Christopher D. Bray, Nicholas D. Kindon, Nigel J. Reynolds, Steven J. Coote, Joann M. Um, and K. N. Houk: "Synthesis and C-Alkylation of Hindered Aldehyde Enamines," J. Org. Chem., 74, 1019-1028 (2009). (PDF)

742. Franziska Schoenebeck and K. N. Houk: "Theoretical Study of the Catalysis of Cyanohydrin Formation by the Cyclic Dipeptide Catalyst cyclo[(S)-His-(S)-Phe]," J. Org. Chem., 74, 1464-1472 (2009). (PDF)

743. Adam J. T. Smith, Xiyun Zhang, Andrew G. Leach, and K. N. Houk: "Beyond Picomolar Affinities: Quantitative Aspects of Noncovalent and Covalent Binding of Drugs to Proteins," J. Med. Chem., 52, 225-233 (2009). (PDF)

744. Adam J. T. Smith, Roger Muller, Miguel D. Toscano, Peter Kast, Homme Hellinga, Donald Hilvert, and K. N. Houk: "Structural Reorganization and Preorganization in Enzyme Active Sites: Comparisons of Experimental and Theoretical Ideal Active Site Geometries in the Multistep Serine Esterase Reaction Cycle," J. Am. Chem. Soc., 130, 15361-15373 (2008). (PDF)

745. Steven E. Wheeler and K. N. Houk: "Substituent Effects in Cation/pi Interactions and Electrostatic Potentials above the Centers of Substituted Benzenes Are Due Primarily to Through-Space Effects of the Substituents," J. Am. Chem. Soc., 131, 3126-3127 (2009). (PDF)

746. Amy E. Hayden and K. N. Houk: "Transition State Distortion Energies Correlate with Activation Energies of 1,4-Dihydrogenations and Diels-Alder Cycloadditions of Aromatic Molecules," J. Am. Chem. Soc., 131, 4084-4089 (2009). (PDF)

747. Yeimy Garcia, Franziska Schoenebeck, Claude Y. Legault, Craig A. Merlic, and K. N. Houk: "Theoretical Bond Dissociation Energies of Halo-Heterocycles: Trends and Relationships to Regioselectivity in Palladium-Catalyzed Cross-Coupling Reactions," J. Am. Chem. Soc., 131, 6632-6639 (2009). (PDF)

748. Steven E. Wheeler and K. N. Houk: "Origin of Substituent Effects in Edge-to-Face Aryl-Aryl Interactions," Mol. Phys., 107, 749-760 (2009). (PDF)

749. Hakan Gunaydin and K. N. Houk: "Mechanisms of Peroxynitrite-Mediated Nitration of Tyrosine," Chem. Res. Toxicol., 22, 894-898 (2009). (PDF)

750. P. R. McCarren, Peng Liu, Paul Ha-Yeon Cheong, Timothy F. Jamison, and K. N. Houk: "Mechanism and Transition-State Structures for Nickel-Catalyzed Reductive Alkyne-Aldehyde Coupling Reactions," J. Am. Chem. Soc., 131, 6654-6655 (2009). (PDF)

751. Joann M. Um, Huadong Xu, K. N. Houk, and Weiping Tang: "Thermodynamic Control of the Electrocyclic Ring Opening of Cyclobutenes: C=X Substituents at C-3 Mask the Kinetic Torquoselectivity," J. Am. Chem. Soc., 131, 6664-6665 (2009). (PDF)

752. Daniel P. Canterbury, Ildiko R. Herrick, Joann Um, K. N. Houk, and Alison J. Frontier: "A Torquoselective Extrusion of Isoxazoline N-oxides. Application to the Synthesis of Aryl Vinyl and Divinyl Ketones for Nazarov Cyclization," Tetrahedron, 65, 3165-3179 (2009). (PDF)

753. Franziska Schoenebeck, Daniel H. Ess, Gavin O. Jones, and K. N. Houk: "Reactivity and Regioselectivity in 1,3-Dipolar Cycloadditions of Azides to Strained Alkynes and Alekenes: A Computational Study," J. Am. Chem. Soc., 131, 8121-8133 (2009). (PDF)

754. Adam J. T. Smith, Ying Li, and K. N. Houk: "Quantum Mechanica/Molecular Mechanics Investigation of the Mechanism of Phosphate Transfer in Human Uridine-Cytidine Kinase 2," Org. Biomol. Chem., 7, 2716-2724 (2009). (PDF)

755. Lai Xu, Charles E. Doubleday, and K. N. Houk: "Dynamics of 1,3-Dipolar Cycloaddition Reactions of Diazonium Betaines to Acetylene and Ethylene: Bending Vibrations Facilitate Reaction," Angew. Chem. Int. Ed., 48, 2746-2748 (2009). (PDF)

756. Yi-Lei Zhao, Jason W. Flora, William David Thweatt, Stephen L. Garrison, Carlos Gonzalez, K. N. Houk, and Manuel Marquez: "Phosphine Polymerization by Nitric Oxide: Experimental Characterization and Theoretical Predictions of Mechanism," Inorg. Chem., 48, 1223-1231 (2009). (PDF)

757. Hui Zhu, Fernando R. Clemente, K. N. Houk, and Matthew P. Meyer: "Rate Limiting Step Precedes C-C Bond Formation in the Archetypical Proline-Catalyzed Intramolecular Aldol Reaction," J. Am. Chem. Soc., 131, 1632-1633 (2009). (PDF)

758. Brian H. Northrop, K. N. Houk, and Ashok Maliakal: "Photostability of Pentacene and 6-13-Disbustituted Pentacene Derivatives: A Theoretical and Experimental Mechanistic Study," Photochem. Photobiol. Sci., 7, 1463-1468 (2008). (PDF)

759. Carlos Aleman, Oscar Betran, Jordi Casanovas, K. N. Houk, and H. K. Hall, Jr: "Thermodynamic Control of the Polymerizability of Five-, Six-, and Seven-Membered Lactones," J. Org. Chem., 74, 6237-6244 (2009). (PDF)

760. Amy E. Hayden, Jason DeChancie, Alexander H. George, Mingji Dai, Maolin Yu, Samuel J. Danishefsky, and K. N. Houk: "Origins of the Regioselectivities in the Diels-Alder Reactions of Vinylindenes with 1,4-Quinone Monokteal and Acrolein Dienophiles," J. Org. Chem., 74, 6770-6776 (2009). (PDF)

761. Nihan Celebi Olcum, Viktorya Aviyente, and K. N. Houk: "Mechanism and Selectivity of Cinchona Alkaloid Catalyzed [1,3]-Shifts of Allylic Trichloroacetimidates," J. Org. Chem., 74, 6944-6952 (2009). (PDF)

762. Steven E. Wheeler, Antonio Moran, Susan N. Pieniazek, and K. N. Houk: "Accurate Reaction Enthalpies and Sources of Error in DFT Thermochemistry for Aldol, Mannich, and alpha-Aminoxylation Reactions," J. Phys. Chem. A, 113 10376-10384 (2009). (PDF)

763. Matthew I. Jackson, Tae H. Han, Laura Serbulea, Andrew Dutton, Eleonora Ford, Katrina M. Miranda, K. N. Houk, David A. Wink, and Jon M. Fukuto: "Kinetic Feasibility of Nitroxyl Reduction by Physiological Reductants and Biological Implications," Free Radical Biology & Medicine, 47, 1130-1139 (2009). (PDF)

764. Steven E. Wheeler and K. N. Houk: "Through-Space Effects of Substituents Dominate Molecular Electrostatic Potentials of Substituted Arenes," J. Chem. Theory Comput., 5, 2301-2312 (2009). (PDF)

765. Xin Chen, Colleen K. Regan, Stephen L. Craig, Elizabeth H. Krenske, K. N. Houk, William L. Jorgensen, and John I. Brauman: "Steric and Solvation Effects in Ionic SN2 Reactions," J. Am. Chem. Soc., 131, 16162-16170 (2009). (PDF)

766. Silvia Osuna and K. N. Houk: "Cycloaddition Reactions of Butadiene and 1,3-Dipoles to Curved Arenes, Fullerenes, and Nanotubes: Theoretical Evaluation of the Role of Distortion Energies on Activation Barriers," Chem. Eur. J., 15, 13219-13231 (2009). (PDF)

767. Paul H.-Y. Cheong, Robert S. Paton, Sarah M. Bronner, G-Yoon J. Im, Neil K. Garg, and K. N. Houk: "Indolyne and Aryne Distortions and Nucleophilic Regioselectivities," J. Am. Chem. Soc., 132, 1267-1269 (2010). (PDF)

768. Roger C. Helgeson, Amy E. Hayden, and K. N. Houk: "Controlled Gating of a Hemicarcerand by Disulfide-Dithiol Interchange," J. Org. Chem., 75, 570-575 (2010). (PDF)

769. Hao Wang, Karol Michalak, Michal Michalak, Gonzalo Jimenez-Oses, J. Wicha, and K. N. Houk: "Steric Control of alpha- and beta-Alkylation of Azulenone Intermediates in a Guanacastepene A Synthesis," J. Org. Chem., 75, 762-766 (2010). (PDF)

770. Amy E. Hayden, Robert S. Paton, Jochen Berker, Yee Hwee Lim, K. C. Nicolaou, and K. N. Houk: "Origins of Regioselectivity of Diels-Alder Reactions for the Synthesis of Bisanthraquinone Antibiotic BE-43472B," J. Org. Chem., 75, 922-928 (2010). (PDF)

771. Jacqueline C. Hargis, Henry F. Schaeffer III, K. N. Houk, and Steven E. Wheeler: "Noncovalent Interactions of a Benzo[a]pyrene Diol Epoxide with DNA Base Pairs: Insight into the Formation of Adducts of (+)-BaP De-2 with DNA," J. Phys. Chem. A, 114, 2038-2044 (2010). (PDF)

772. Elizabeth H. Krenske, K. N. Houk, and Michael Harmata: "Origin of Stereoselectivity in the (4 + 3) Cycloadditions of Chiral Alkoxy Siloxyallyl Cations with Furan," Org. Lett., 12, 444-447 (2010). (PDF)

773. Elizabeth H. Krenske, William A. Pryor, and K. N. Houk: "Mechanism of SH2 Reactions of Disulfides: Frontside vs. Backside, Stepwise vs. Concerted," J. Org. Chem., 74, 5356-5360 (2009). (PDF)

774. Steven E. Wheeler and K. N. Houk: "Integration Grid Errors for Meta-GGA-Predicted Reaction Energies: Origin of Grid Errors for the M06 Suite of Functionals," J. Chem. Theory Comput., 6, 395-404 (2010). (PDF)

775. Peng Liu, Patrick McCarren, Paul Ha-Yeon Cheong, Timothy F. Jamison, and K. N. Houk: "Origins of Regioselectivity and Alkene-Directing Effects in Nickel-Catalyzed Reductive Couplings of Alkynes and Aldehydes," J. Am. Chem. Soc., 132, 2050-2057 (2010). (PDF)

776. Franziska Schoenebeck and K. N. Houk: ""Ligand-Controlled Regioselectivity in Palladium-Catalyzed Cross Coupling Reactions," J. Am. Chem. Soc., 132, 2496-2497 (2010). (PDF)

777. Lai Xu, Charles E. Doubleday, and K. N. Houk: "Dynamics of 1,3-Dipolar Cycloadditions: Energy Partitioning of Reactants and Quantitation of Synchronicity," J. Am. Chem. Soc., 132, 3029-3027 (2010). (PDF)

778. Steven E. Wheeler, Anne J. McNeil, Peter Muller, Timothy M. Swager, and K. N. Houk: "Probing Substituent Effects in Aryl-Aryl Interactions Using Stereoselective Diels-Alder Cycloadditions," J. Am. Chem. Soc., 132, 3304-3311 (2010). (PDF)

779. Serf Gul, Franziska Schoenebeck, Viktorya Aviyente, and K. N. Houk: "Computational Study of Factors Controlling the Boat and Chair Transition States of Ireland-Claisen Rearrangements," J. Org. Chem., 75, 2115-2118 (2010). (PDF)

780. Joann M. Um, Osvaldo Gutierrez, Franziska Schoenebeck, K. N. Houk, and David W. C. MacMillan: "Nature of Intermediates in Organo-SOMO Catalysis of alpha-Arylation of Aldehydes," J. Am. Chem. Soc., 132, 6001-6005 (2010). (PDF)

781. Gavin O. Jones, Peng Liu, K. N. Houk, and Stephen L. Buchwald: "Computational Explorations of Mechanisms and Ligand-Directed Selectivities of Copper-Catalyzed Ullmann-Type Reactions," J. Am. Chem. Soc., 132, 6205-6213 (2010). (PDF)

782. Christophe Allemann, Joann M. Um, and K. N. Houk: "Computational Investigations of the Stereoselectivities of Proline-Related Catalysts for Aldol Reactions," J. Mol. Cat. A, 324, 31-38 (2010). (PDF)

783. Hsiang-Yu Chen, Jianhui Hou, Amy E. Hayden, Hoichang Yang, K. N. Houk, and Yang Yang: "Silicon Atom Substitution Enhances Interchain Packing in a Thiophene-Based Polymer System," Adv. Mater., 22, 371-375 (2010). (PDF)

784. Daniel J. St. Cyr, Marie S. T. Morin, Francine Belanger-Gariepy, Bruce A. Arndtsen, Elizabeth H. Krenske, and K. N. Houk: "Phospha-Munchnones: Electronic Structures and 1,3-Dipolar Cycloadditions," J. Org. Chem., 75, 4261-4273 (2010). (PDF)

785. Robert S. Paton, Joel L. Mackey, Woo Han Kim, Jun Hee Lee, Samuel J. Danishefsky, and K. N. Houk: "Origins of Stereoselectivity in the trans Diels-Alder Paradigm," J. Am. Chem. Soc., 132, 9335-9340 (2010). (PDF)

786. Joann M. Um, Naeem S. Kaka, David M. Hodgson, and K. N. Houk: "Transition States and Origins of 1,4-Asymmetric Induction in Alkylations of 2,2,6-Trialkylpiperidine Enamines," Chem. Eur. J., 16, 6310-6316 (2010). (PDF)

787. Mariam Aghajan, Nao Jonai, Karin Flick, Feu Fu. Manlin Luo, Xiaolu Cai, Ikram Ouni, Nathan Pierce, Xiaobo Tang, Brett Lomenick, Robert Damoiseaux, Rui Hao, Pierre M. del Moral, Rati Verman, Ying Li, Cheng Li, Kendall N. Houk, Michael E. Jung, Ning Zheng, Lan Huang, Raymond J. Deshaies, Peter Kaiser, and Jing Huang: "Chemical Genetics Screen for Enhancers of Rapamycin Identified a Specific Inhibitor of an SCF Family E3 Ubiquitin Ligase," Nature Biotech., 28, 738-742 (2010). (PDF)

788. Peng Liu, Lauren E. Sirois, Paul Ha-Yeon Cheong, Zhi-Xiang Yu, Ingo V. Hartung, Heiko Rieck, Paul A. Wender, and K. N. Houk: "Electronic and Steric Control of Regioselectivities in Rh(I)-Catalyzed (5+2) Cycloadditions: Experiment and Theory," J. Am. Chem. Soc., 132, 10127-10135 (2010). (PDF)

789. Justin B. Siegel, Alexandre Zanghellini, Helena M. Lovick, Gert Kiss, Abigail R. Lambert, Jennifer L. St. Clair, Jasmine L. Gallaher, Donald Hilvert, Michael H. Gelb, Barry L. Stoddard, Kendall N. Houk, Forrest E. Michael, and David Baker: "Computational Design of an Enzyme Catalyst for a Stereoselective Bimolecular Diels-Alder Reaction," Science, 329, 309-313 (2010). (PDF)

790. Kendall N. Houk: "Rolf Huisgen's Profound Adventures in Chemistry," Helv. Chim. Acta, 93, 1241-1260 (2010). (PDF)

791. Dipti N. Barman, Peng Liu, Kendall N. Houk, and Kenneth M. Nicholas: "On the Mechanism of Ligand-Assisted, Copper-Catalyzed Benzylic Amination by Chloramine-T," Organometallics, 29, 3404-3412 (2010). (PDF)

792. Steven E. Wheeler and K. N. Houk: "Are Anion/pi Interactions Actually a Case of Simple Charge-Dipole Interactions?" J. Phys. Chem. A, 114, 8658-8664 (2010). (PDF)

793. Elizabeth H. Krenske, K. N. Houk, Andrew G. Lohse, Jennifer E. Antoline, and Richard P. Hsung: "Stereoselectivity in Oxyallyl-Furan (4 + 3) Cycloadditions: Control of Intermediate Conformations and Dispersive Stabilisation in Cycloadditions Involving Oxazolidinone Auxiliaries," Chem. Science, 1, 387-392 (2010). (PDF)

794. Burcu Dedeoglu, Saron Catak, K. N. Houk, and Viktorya Aviyente: "A Theoretical Study of the Mechanism of the Desymmetrization of Cyclic meso-Anhydrides by Chiral Amino Alcohols," ChemCatChem, 2, 1122-1129 (2010). (PDF)

795. Gert Kiss, Daniela Rothlisberger, David Baker, and K. N. Houk: "Evaluation and Ranking of Enzyme Designs," Protein Science, 19, 1760-1773 (2010). (PDF)

796. Michael E. Jung, Ting-Hu Zhang, Rebecca M. Lui, Osvaldo Gutierrez, and K. N. Houk: "Synthesis of a trans,syn,trans-Dodecahydrophenanthrene via a Bicyclic Transannular Diels-Alder Reaction: Intermediate for the Synthesis of Fusidic Acid," J. Org. Chem., 75, 6933-6940 (2010). (PDF)

797. Le-Ping Liu, Deepika Malhotra, Robert S. Paton, K. N. Houk, and Gerald B. Hammond: "The [4+2], not [2+2], Mechanism Occurs in the Gold Catalyzed Intramolecular Oxygen Transfer Reaction of 2-Alkynyl-1,5-Diketones," Angew. Chem. Int. Ed., 49, 9132-9135 (2010). (PDF)

798. Andrew G. Lohse, Elizabeth H. Krenske, Jennifer E. Antoline, K. N. Houk, and Richard P. Hsung: "Regioselectivities of (4+3) Cycloadditions between Furans and Oxazolidinone-Substitute Oxyallyls," Org. Lett., 12, 5506-5509 (2010). (PDF)

799. Elizabeth H. Krenske, K. N. Houk, Daniel Lim, Sarah E. Wengryniuk, and Don M. Coltart: "Origins of Stereoselectivity in the alpha-Alkylation of Chiral-Hydrazones," J. Org. Chem., 75, 8578-8584 (2010). (PDF)

800. Yang Cao and K. N. Houk: "Computational Assessment of 1,3-Dipolar Cycloadditions to Graphene," J. Mater. Chem., 21, 1503-1508 (2011). (PDF)

801. G-Yoon J. Im, Sarah M. Bronner, Adam E. Goetz, Robert S. Paton, Paul H.-Y. Cheong, K. N. Houk, and Neil Garg: "Indolyne Experimental and Computational Studies: Synthetic Applications and Origins of Selectivities of Nucleophilic Additions," J. Am. Chem. Soc., 132, 17933-17944 (2010). (PDF)

802. Yu Lan and K. N. Houk: "Mechanism and Stereoselectivity of the Stepwise 1,3-Dipolar Cycloadditions between a Thiocarbonyl Ylide and Electron-Deficient Dipolarophiles: A Computational Investigation," J. Am. Chem. Soc., 132, 17921-17927 (2010). (PDF)

803. Dora Toledo Warshaviak, Laura Serbulea, K. N. Houk, and Wayne L. Hubbell: "Conformational Analysis of a Nitroxide Side Chain in an alpha-Helix with Density Functional Theory," J. Phys. Chem. B, 115, 397-405 (2011). (PDF)

804. Jovan M. Tadic, Lai Xu, K. N. Houk, and Geert K. Moortgat: "Photooxidation of n-Octanal in Air: Experimental and Theoretical Study," J. Org. Chem., 76, 1614-1620 (2011). (PDF)

805. Robert S. Paton, Sarah E. Steinhardt, Christopher D. Vanderwal, and K. N. Houk: "Unraveling the Mechanism of Cascade Reactions of Zincke Aldehydes," J. Am. Chem. Soc., 133, 3895-3905 (2011). (PDF)

806. Moonhee Kim, J. Nathan Hohman, Yang Cao, Kendall N. Houk, Hong Ma, Alex K.-Y. Jen, and Paul S. Weiss: "Creating Favorable Geometries for Directing Organic Photoreactions in Alkanethiolate Monolayers," Science, 331, 1312-1315 (2011). (PDF)

807. Peng Liu, Michael J. Krische, and Kendall N. Houk: "Mechanism and Origins of Regio- and Enantioselectivities in RhI-Catalyzed Hydrogenative Couplings of 1,3-Diynes and Activated Carbonyl Partners: Intervention of a Cumulene Intermediate," Chem. Eur. J., 17, 4021-4029 (2011). (PDF)

808. Elizabeth H. Krenske, K. N. Houk, Andrew B. Holmes, and John Thompson: "Entropy versus Tether Strain Effects on Rates of Intramolecular 1,3-dipolar Cycloadditions of N-alkenylnitrones," Tet. Lett., 52, 2181-2184 (2011). (PDF)

809. Peng Liu and K. N. Houk: "Theoretical Studes of Regioselectivity of Ni- and Rh-Catalyzed C-C Bond Forming Reactions with Unsymmetrical Alkynes," Inorg. Chim. Acta, 369, 2-14 (2011). (PDF)

810. Nihan Celebi-Olcum, Ben W. Boal, Alexander D. Huters, Neil K. Garg, and K. N. Houk: "Why Do Some Fischer Indolizations Fail?" J. Am. Chem. Soc., 133, 5752-5755 (2011). (PDF)

811. Kyle W. Quasdorf, Aurora Antoft-Finch, Peng Liu, Amanda L. Silberstein, Anna Komaromi, Tom Blackburn, Stephen D. Ramgren, K. N. Houk, Victor Snieckus, and Neil K. Garg: "Suzuki-Miyaura Cross-Coupling of Aryl Carbamates and Sulfamates: Experimental and Comutational Studies," J. Am. Chem. Soc., 133, 6352-6363 (2011). (PDF)

812. Peng Liu, John Montgomery, and K. N. Houk: "Ligand Steric Contours to Understand the Effects of N-Heterocyclic Carbene Ligands on the Reversal of Regioselectivity in Ni-Catalyzed Reductive Couplings of Alkynes and Aldehydes," J. Am. Chem. Soc., 133, 6956-6959 (2011). (PDF)

813. Hao Wang, K. N. Houk, Damian A. Allen, and Michael E. Jung: "Computational Elucidation of the Origins of Reactivity and Selectivity in Non-Aldol Aldol Rearrangements of Cyclic Epoxides," Org. Lett., 13, 3238-3241 (2011). (PDF)

814. Yu Lan and K. N. Houk: "Mechanism of the Palladium-Catalyzed Addition of Arylboronic Acids to Enones: A Computational Study," J. Org. Chem., 76, 4905-4909 (2011). (PDF)

815. Osvaldo Gutierrez, Robert G. Iafe, and K. N. Houk: "Origin of Stereoselectivity in the Imidazolidinone-Catalyzed Reductions of Cyclic alpha,beta-Unsaturated Ketones," Org. Lett., 11, 4298-4301 (2009). (PDF)

816. Jianwu Wang, Prakashan Korambath, Seonah Kim, Scott Johnson, Kejian Jin, Daniel Crawl, Ilkay Altintas, Shave Smallen, Bill Labate, and Kendall N. Houk: "Facilitating e-Science Discovery Using Scientific Workflows on the Grid," Guide to e-Science: Computer Communications and Networks, Part 4, 353-382 (2011). (PDF)

817. Noga Gilboa, Hao Wang, Kendall N. Houk, and Ilan Marek: "Axial Preferences in Allylations via the Zimmerman-Traxler Transition State," Chem. Eur. J., 17, 8000-8004 (2011). (PDF)

818. Elizabeth H. Krenske, Russell C. Petter, Zhendong Zhu, and K. N. Houk: "Transition States and Energetics of Nucleophilic Additions of Thiols to Subtituted alpha,beta-Unsaturated Ketones: Substituent Effects Involve Enone Stabilization, Product Branching, and Solvation," J. Org. Chem., 76, 5074-5081 (2011). (PDF)

819. Paul Ha-Yeon Cheong, Claude Y. Legault, Joann M. Um, Nihan Celebi-Olcum, and K. N. Houk: "Quantum Mechanical Investigations of Organocatalysis: Mechanisms, Reactivities and Selectivities," Chem. Rev., 111, 5042-5137 (2011). (PDF)

820. Le-Ping Liu, Deepika Malhotra, Zhuang Jin, Robert S. Paton, K. N. Houk, and Gerald B. Hammond: "Gold-Catalyzed, Intramolecular, Oxygen-Transfer Reactions of 2-Alkynyl-1,5-diketones or 2-Alkynyl-5-ketoesters: Scope, Expansion, and Mechanistic Investigations on a New [4+2] Cycloaddition," Chem. Eur. J., 17, 10690-10699 (2011). (PDF)

821. Robert S. Paton, Seonah Kim, Audrey G. Ross, Samuel J. Danishefsky, and K. N. Houk: "Experimental Diels-Alder Reactivities of Cycloalkenones and Cyclic Dienes Explained Through Transition-State Distortion Energies," Angew. Chem. Int. Ed., 50, 10366-10368 (2011). (PDF)

822. Nihan Celebi-Olcum, Yu-hong Lam, Edward Richmond, Kenneth B. Ling, Andrew D. Smith, and K. N. Houk: "Pericyclic Cascade with Chirality Transfer: Reaction Pathway and Origin of Enantioselectivity of the Hetero-Claisen Approach to Oxindoles," Angew. Chem. Int. Ed., 50, 11478-11482 (2011). (PDF)

823. Joann M. Um, Daniel A. DiRocco, Elizabeth L. Noey, Tomislav Rovis, and K. N. Houk: "Quantum Mechanical Investigation of the Effect of Catalyst Fluorination in the Intermolecular Asymmetric Stetter Reaction," J. Am. Chem. Soc., 133, 11249-11254 (2011). (PDF)

824. Jennifer E. Antoline, Elizabeth H. Krenske, Andrew G. Lohse, K. N. Houk, and Richard P. Hsung: "Stereoselectivities and Regioselectivities of (4+3) Cycloadditions Between Allenamide-Derived Chiral Oxazolidinone-Stabilized Oxyallyls and Furans: Experiment and Theory," J. Am. Chem. Soc., 133, 14443-14451 (2011). (PDF)

825. Lai Xu, Charles E. Doubleday, and K. N. Houk: "Dynamics of Carbene Cycloadditions," J. Am. Chem. Soc., 133, 17848-17854 (2011). (PDF)

826. Yu Lan, Lufeng Zou, Yang Cao, and K. N. Houk: "Computational Methods to Calculate Accurate Activation and Reaction Energies of 1,3-Dipolar Cycloaddition of 24 1,3-Dipoles," J. Phys. Chem. A, 115, 13906-13920 (2011). (PDF)

827. Jason E. Hein, Jordi Bures, Yu-hong Lam, Matthew Hughes, K. N. Houk, Alan Armstrong, and Donna G. Blackmond: "Enamine Carboxylates as Stereodetermining Intermediates in Prolinate Catalysis," Org. Lett., 13, 5644-5647 (2011). (PDF)

828. Yu Lan, Steven E. Wheeler, and K. N. Houk: "Extraordinary Difference in Reactivity of Ozone (OOO) and Sulfur Dioxide (OSO): A Theoretical Study," J. Chem. Theory Comput., 7, 2104-2111 (2011). (PDF)

829. Elizabeth L. Noey, Xiang Wang, and K. N. Houk: "Selective Gold(I)-Catalyzed Formation of Tetracyclic Indolines: A Single Transition Structure and Bifurcations Lead to Multiple Products," J. Org. Chem., 76, 3477-3483 (2011). (PDF)

830. Olga Khersonsky, Daniela Rothlisberger, Andrew M. Wollacott, Paul Murphy, Orly Dym, Shira Albeck, Gert Kiss, K. N. Houk, David Baker, and Dan S. Tawfik: "Optimization of the In-Silico-Designed Kemp Eliminase KE70 by Computational Design and Directed Evolution," J. Mol. Biol., 407, 391-412 (2011). (PDF)

831. Gregory Kuzmanich, Fabian Spanig, Chao-Kuan Tsai, Joann M. Um, Ryan M. Hoekstra, K. N. Houk, Dirk, M. Guldi, and Miguel Garcia-Garibay: "Oxyallyl Exposed: An Open-Shell Singlet with Picosecond Lifetimes in Solution but Persistent in Crystals of a Cyclobutanedione Precursor," J. Am. Chem. Soc., 133, 2342-2345 (2011). (PDF)

832. Fang Liu, Hao Wang, and K. N. Houk: "Gated Container Molecules," Science China Chemistry, 54, 2038-2044 (2011). (PDF)

833. Elizabeth L. Noey, Yingdong Luo, Liming Zhang, and K. N. Houk: "Mechanism of Gold(I)-Catalyzed Rearrangements of Acetylenic Amine-N-Oxides: Computational Investigations Lead to a New Mechanism Confirmed by Experiment," J. Am. Chem. Soc., 134, 1078-1084 (2012). (PDF)

834. Yu Lan, Rick L. Danheiser, and K. N. Houk: "Why Nature Eschews the Concerted [2 + 2 + 2] Cycloaddition of a Nonconjugated Cyanodiyne. Computational Study of a Pyridine Synthesis Involving an Ene-Diels-Alder-Bimolecular Hydrogen Transfer Mechanism," J. Org. Chem., 77, 1533-1538 (2012). (PDF)

835. Elizabeth H. Krenske, Edwin C. Davison, Ian T. Forbes, Jacqueline A. Warner, Adrian L. Smith, Andrew B. Holmes, and K. N. Houk: "Reverse Cope Elimination of Hydroxylamines and Alkenes of Alkynes: Theoretical Investigation of Tether Length and Substituent Effects," J. Am. Chem. Soc., 134, 2434-2441 (2012). (PDF)

836. Kinya Hotta, Xi Chen, Robert S. Paton, Atsushi Minami, Hao Li, Kunchithapadam Swaminathan, Irimpan I. Mathews, Kenji Watanabe, Hideaki Oikawa, Kendall N. Houk, and Chu-Young Kim: "Enzymatic Catalysis of Anti-Baldwin Ring Closure in Polyether Biosynthesis," Nature, 483, 355-359 (2012). (PDF)

837. Heidi K. Privett, Gert Kiss, Toni M. Lee, Rebecca Blomberg, Roberto A. Chica, Leonard M. Thomas, Donald Hilvert, Kendall N. Houk, and Stephen L. Mayo: "Iterative Approach to Computational Enzyme Design," Proc. Natl. Acad. Sci., 109, 3790-3795 (2012). (PDF)

838. Peng Liu, Xiufang Xu, Xiaofei Dong, Benjamin K. Keitz, Myles B. Herbert, Robert H. Grubbs, and K. N. Houk: "Z-Selectivity in Olefin Metathesis with Chelated Ru Catalysts: Computational Studies of Mechanism and Selectivity," J. Am. Chem. Soc., 134, 1464-1467 (2012). (PDF)

839. Andrew R. Bogdan, Steven V. Jerome, K. N. Houk, and Keith James: "Strained Cyclophane Macrocycles: Impact of Progressive Ring Size Reduction on Synthesis and Structure," J. Am. Chem. Soc., 134, 2127-2138 (2012). (PDF)

840. Omid Khakshoor, Steven E. Wheeler, K. N. Houk, and Eric T. Kool: "Measurement and Theory of Hydrogen Bonding Contribution to Isosteric DNA Base Pairs," J. Am. Chem. Soc., 134, 3154-3163 (2012). (PDF)

841. Yu-Hong Lam, K. N. Houk, Ulf Scheffler, and Rainer Mahrwald: "Stereoselectivities of Histidine-Catalyzed Asymmetric Aldol Additions and Contrasts with Proline Catalysis: A Quantum Mechanical Analysis," J. Am. Chem. Soc., 134, 6286-6295 (2012). (PDF)

842. Myles B. Herbert, Yu Lan, Benjamin Keith Keitz, Peng Liu, Koji Endo, Michael W. Day, K. N. Houk, and Robert Howard Grubbs: "Decomposition Pathways of Z-Selective Ruthenium Metathesis Catalysts," J. Am. Chem. Soc., 134, 7861-7866 (2012). (PDF)

843. Yu Lan, Peng Liu, Stephen G. Newman, Mark Lautens, and K. N. Houk: "Theoretical Study of Pd(0)-Catalyzed Carbohalogenation of Alkenes: Mechanism and Origins of Reactivities and Selectivities in Alkyl Halide Reductive Elimination from Pd(II) Species," Chem. Sci., 3, 1987-1995 (2012). (PDF)

844. Carlos Aleman, Oscar Bertran, K. N. Houk, Anne Buyle Padias, and Henry K. Hall: "Thermodynamic and Stereochemical Aspects of the Polymerizability of Glycolide and Lactide," Theor. Chem. Acc., 131, 1133-1142 (2012). (PDF)

845. Pankaj Jain, Hao Wang, Kendall N. Houk, and Jon C. Antilla: "Bronsted Acid Catalyzed Asymmetric Propargylation of Aldehydes," Angew. Chem. Int. Ed., 51, 1391-1394 (2012). (PDF)

846. Daniel A. DiRocco, Elizabeth L. Noey, K. N. Houk, and Tomislav Rovis: "Catalytic Asymmetric Intermolecular Stetter Reactions of Enolizable Aldehydes with Nitrostyrenes: Computational Study Provides Insight into the Success of the Catalyst," Angew. Chem. Int. Ed., 51, 2391-2394 (2012). (PDF)

847. Adam E. Goetz, Sarah M. Bronner, Jordan D. Cisneros, Joshua M. Melamed, Robert S. Paton, K. N. Houk, and Neil K. Garg: "An Efficient Computational Model to Predict the Synthetic Utility of Heterocyclic Arynes," Angew. Chem. Int. Ed., 51, 2758-2762 (2012). (PDF)

848. Hung V. Pham, David B. C. Martin, Christopher D. Vanderwal, and K. N. Houk: "The Intramolecular Diels-Alder Reaction of Tryptamine-Derived Zincke Aldehydes Is a Stepwise Process," Chem. Sci., 3 1650-1655 (2012). (PDF)

849. Qingquan Zhao, Yu-hong Lam, Mahboubeh Kheirabadi, Chongson Xu, K. N. Houk, and Christian E. Schafmeister: "Hydrophobic Stubstituent Effects on Proline Catalysis of Aldol Reactions in Water," J. Org. Chem., 77, 4784-4792 (2012) (PDF)

850. Chelsea G. Gordon, Joel L. Mackey, John C. Jewett, Ellen M. Sletten, K. N. Houk, and Carolyn R. Bertozzi: "Reactivity of Biarylazacyclooctynones in Copper-Free Click Chemistry," J. Am. Chem. Soc., 134, 9199-9208 (2012). (PDF)

851. Elizabeth H. Krenske, Emma W. Perry, Steven V. Jerome, Thomas J. Maimone, Phil S. Baran, and K. N. Houk: "Why a Proximity-Induced Diels-Alder Reaction Is So Fast," Org. Lett., 14, 3016-3019 (2012). (PDF)

852. C. Avery Sader and K. N. Houk: "A Theoretical Study of Cyclohexyne Addition to Carbonyl-C alpha Bonds: Allowed and Forbidden Electrocyclic and Nonpericyclic Ring-Openings of Strained Cyclobutenes," J. Org. Chem., 77, 4939-4948 (2012). (PDF)

853. Ryan J. Marcheschi, Han Li, Kechun Zhang, Elizabeth L. Noey, Seonah Kim, Asha Chaubey, K. N. Houk, and James C. Liao: "A Synthetic Recursive "+1" Pathway for Carbon Chain Elongation," ACS Chem. Biol., 7, 689-697 (2012). (PDF)

854. Elizabeth A. Felnagle, Asha Chaubey, Elizabeth L. Noey, Kendall N. Houk, and James C. Liao: "Engineering Synthetic Recursive Pathways to Generate Non-Natural Small Molecules," Nature Chem. Biol., 8, 518-526 (2012). (PDF)

855. Geoffrey R. Nosrati and K. N. Houk: "SABER: A Computational Method for Identifying Active Sides for New Reactions," Protein Science, 21, 697-706 (2012). (PDF)

856. Ana Bellomo, Nihan Celebi-Olcum, Xiaodong Bu, Nelo Rivera, Rebecca T. Ruck, Christopher J. Welch, Kendall N. Houk, and Spencer D. Dreher: "Rapid Catalyst Identification for the Synthesis of the Pyrimidinone Core of HIV Integrase Inhibitors," Angew. Chem. Int. Ed., 51, 6912-6915 (2012). (PDF)

857. Xiufang Xu, Peng Liu, Adam Leser, Lauren E. Sirois, Paul A. Wender, and K. N. Houk: "Ligand Effects on Rates and Regioselectivities of Rh(I) Catalyzed (5+2) Cycloadditions: A Computational Study of Cyclooctadiene and Dinaphthocyclooctatetraene as Ligands," J. Am. Chem. Soc., 134, 11012-11025 (2012). (PDF)

858. Peng Liu, Xing Yang, Vladimir B. Birman, and K. N. Houk: "Origin of Enantioselectivity in Benzotetramisole-Catalyzed Dynamic Kinetic Resolution of Azlactones," Org. Lett., 14, 3288-3291 (2012). (PDF)

859. Elizabeth H. Krenske, Sesil Agopcan, Viktorya Aviyente, K. N. Houk, Brian A. Johnson, and Andrew B. Holmes: "Causation in a Cascade: The Origins of Selectivities in Intramolecular Nitrone Cycloadditions," J. Am. Chem. Soc., 134, 12010-12015 (2012). (PDF)

860. Martin J. Schnermann, Nicholas L. Untiedt, Gonzalo Jimenez-Oses, Kendall N. Houk, and Larry E. Overman: "Forming Tertiary Organolithiums and Organocuprates from Nitrile Precursors and their Bimolecular Reactions with Carbon Electrophiles to Form Quaternary Carbon Stereocenters," Angew. Chem. Int. Ed., 51, 9581-9586 (2012). (PDF)

861. Xing Yang, Peng Liu, K. N. Houk, and Vladimir B. Birman: "Manifestation of Felkin-Anh Control in Enantioselective Acyl Transfer Catalysis: Kinetic Resolution of Carboxylic Acids," Angew. Chem. Int. Ed., 51, 9638-9642 (2012). (PDF)

862. Ramesh Giri, Peng Liu, Yu Lan, K. N. Houk, and Jin-Quan Yu: "Understanding Reactivity and Stereoselectivity in Palladium-Catalyzed Diastereoselective sp3 C-H Bond Activation: Intermediate Characterization and Computational Studies," J. Am. Chem. Soc., 134, 14118-14126 (2012). (PDF)

863. Florian Richter, Rebecca Blomberg, Sagar D. Khare, Gert Kiss, Alexandre P. Kuzin, Adam J. T. Smith, Jasmine Gallaher, Zbigniew Pianowski, Roger C. Helgeson, Alexej Grjasnow, Rong Xiao, Jayarraman Seetharaman, Min Su, Sergey Vorobiev, Scott Lew, Farhad Forouhar, Gregory J. Kornhaber, John F. Hunt, Gaetano T. Montelione, Liang Tong, K. N. Houk, Donald Hilvert, and David Baker: "Computational Design of Catalytic Dyads and Oxyanion Holes for Ester Hydrolysis," J. Am. Chem. Soc., 134, 16197-19206 (2012). (PDF)

864. Xing Yang, Valentina D. Bumbu, Peng Liu, Ximin Li, Hui Jiang, Eric W. Uffman, Lei Guo, Wei Zhang, Xuntian Jiang, K. N. Houk, and Vladimir B. Birman: "Catalytic, Enantioselective N-Acylation of Lactams and Thiolactams Using Amidine-Based Catalysts," J. Am. Chem. Soc., 134, 17605-17612 (2012). (PDF)

865. Kersey Black, Peng Liu, Lai Xu, Charles Doubleday, and Kendall N. Houk: "Inaugural Article: Dynamics, Transition States, and Timing of Bond Formation in Diels-Alder Reactions," Proc. Natl. Acad. Sci. USA, 109, 12860-12865 (2012). (PDF)

866. Hao Wang, Philipp Kohler, Larry E. Overman, and K. N. Houk: "Origins of Stereoselectivities of Dihydroxylations of cis-Bicyclo[3.3.0]octenes," J. Am. Chem. Soc., 134, 16054-16058 (2012). (PDF)

867. Yong Liang, Joel L. Mackey, Steven A. Lopez, Fang Liu, and K. N. Houk: "Control and Design of Mutual Orthogonality in Bioorthogonal Cycloadditions," J. Am. Chem. Soc., 134, 17904-17907 (2012). (PDF)

868. Mahboubeh Kheirabadi, Nihan Celebi-Olcum, Matthew F. L. Parker, Qingquan Zhao, Gert Kiss, K. N. Houk, and Christian E. Schafmeister: "Spiroligozymes for Transesterifications: Design and Relationship of Structure to Activity," J. Am. Chem. Soc., 134, 18345-18353 (2012). (PDF)

869. Gregg A. Barcan, Ashay Patel, K. N. Houk, and Ohyun Kwon: "A Torquoselective 6pi Electrocyclization Approach to Reserpine Alkaloids," Org. Lett., 14, 5388-5381 (2012). (PDF)

870. Olga Khersonsky, Gert Kiss, Daniela Rothlisberger, Orly Dym, Shira Albeck, Kendall N. Houk, David Baker, and Dan S. Tawfik: "Bridging the Gaps in Design Methodologies by Evolutionary Optimization of the Stability and Proficiency of Designed Kemp Eliminase KE59," Proc. Natl. Acad. Sci. USA, 109, 10358-10363 (2012). (PDF)

871. Yu-hong Lam, Kendall N. Houk, Janine Cossy, Domingo Gomez Pardo, and Anne Cochi: "Fluorine as a Regiocontrol Element in the Ring Opening of Bicyclic Aziridiniums," Helv. Chim. Acta, 95, 2265-2277 (2012). (PDF)

872. Marinus A. Bigi, Peng Liu, Lufeng Zou, K. N. Houk, and M. Christina White: "Cafestol to Tricalysiolide B and Oxidized Analogues: Biosynthetic and Derivatization Studies Using Non-heme Iron Catalyst Fe(PDP)," Synlett, 23, 2768-2772 (2012). (PDF)

873. Ricardo A. Matute and K. N. Houk: "The Triplet Surface of the Zimmerman Di-pi-Methane Rearrangement of Dibenzobarrelene," Angew. Chem. Int. Ed., 51, 13097-13100 (2012). (PDF)

874. Hiroshi Miyazaki, Myles B. Herbert, Peng Liu, Xiaofei Dong, Xiufang Xu, Benjamin K. Keitz, Thay Ung, Garik Mkrtumya, K. N. Houk, and Robert H. Grubbs: "Z-Selective Ethenolysis with a Ruthenium Metathesis Catalyst: Experiment and Theory," J. Am. Chem. Soc., 135, 5848-5858 (2013). (PDF)

875. Hao Wang, Fang Liu, Roger C. Helgeson, Kendall N. Houk: "Reversible Photochemically Gated Transformation of a Hermicarcerand to a Carcerand," Angew. Chem. Int. Ed., 52, 655-659 (2012). (PDF)

876. Sarah M. Bronner, Joel L. Mackey, K. N. Houk, and Neil K. Garg: "Steric Effects Compete with Aryne Distortion to Control Regioselectivities of Nucleophilic Additions to 3-Silylarynes," J. Am. Chem. Soc., 134, 13966-13969 (2012). (PDF)

877. Geoffrey R. Nosrati and K. N. Houk: "Using Catalytic Atom Maps to Predict the Catalytic Functions Present in Enzyme Active Sites," Biochem., 51, 7321-7329 (2012). (PDF)

878. Andrej Petric, Scott A. Johnson, Hung V. Pham, Ying Li, Simon Ceh, Amalija Golobic, Eric D. Agdeppa, Gerald Timbol, Jie Liu, Gyochang Keum, Nagichettiar Satyamurthy, Vladimir Kepe, Kendall N. Houk, and Jorge R. Barrio: "Dicyanovinylnaphthalenes for Neuroimaging of Amyloids and Relationships of Electronic Structures and Geometries to Binding Affinities," Proc. Natl. Acad. Sci. USA, 109, 16492-16497 (2012). Correction: Proc. Natl. Acad. Sci. USA, 110, 5269 (2013). (PDF)

879. Arne Dieckmann and K. N. Houk: "Elucidation of Strong Cooperative Effects Caused by Dispersion Interactions in a Recognition-Mediated Diels-Alder Reaction," J. Chem. Theory Comput., 8, 5064-5071 (2012). (PDF)

880. Huiliang Wang, Jianguo Mei, Peng Liu, Kristin Schmidt, Gonzalo Jimenez-Oses, Silvia Osuna, Lei Fang, Christopher J. Tassone, Arjan Pieter Zoombelt, Anatoliy N. Sokolov, Kendall N. Houk, Michael F. Toney, and Zhenan Bao: "Scalable and Selective Dispersion of Semiconducting Arc-Discharged Carbon Nanotubes by Dithiafulvalene/Thiophene Copolymers for Thin Film Transistors," ACS Nano, 7, 2659-2668 (2013). (PDF)

881. Hongkun Lin, Wenbo Pei, Hao Wang, Kendall N. Houk, and Isaac J. Krauss: "Enantioselective Homocrotylboration of Aliphatic Aldehydes," J. Am. Chem. Soc., 135, 82-85 (2013). (PDF)

882. Xin Hong, Peng Liu, and K. N. Houk: "Mechanism and Origins of Ligand-Controlled Selectivities in [Ni(NHC)]-Catalyzed Intramolecular (5+2) Cycloadditions and Homo-Ene Reactions: A Theoretical Study," J. Am. Chem. Soc., 135, 1456-1462 (2013). (PDF)

883. Arne Dieckmann, Martin Breugst, and K. N. Houk: "Zwitterions and Unobserved Intermediates in Organocatalytic Diels-Alder Reactions of Linear and Cross-Conjugated Trienamines," J. Am. Chem. Soc., 135, 3237-3242 (2013). (PDF)

884. Hao Wang, Pankaj Jain, Jon C. Antilla, and K. N. Houk: "Origins of Stereoselectivities in Chiral Phosphoric Acid Catalyzed Allylborations and Propargylations of Aldehydes," J. Org. Chem., 78, 1208-1215 (2013). (PDF)

885. Steven A. Lopez, Morton E. Munk, and K. N. Houk: "Mechanisms and Transition States of 1,3-Dipolar Cycloadditions of Phenyl Azide with Enamines: A Computational Analysis," J. Org. Chem., 78, 1576-1582 (2013). Correction: J. Org. Chem., 78, 5115-5115 (2013). (PDF)

886. Yunfei Du, Elizabeth H. Krenske, Jennifer E. Antoline, Andrew G. Lohse, K. N. Houk, and Richard P. Hsung: "Control of Regioselectivity and Stereoselectivity in (4+3) Cycloadditions of Chiral Oxyallyls with Unsymmetrically Disubsituted Furans," J. Org. Chem., 78, 1753-1759 (2013). (PDF)

887. Steven A. Lopez and K. N. Houk: "Alkene Distortion Energies and Torsional Effects Control Reactivities and Stereoselectivities of Azide Cycloadditions to Norbornene and Substituted Norbornenes," J. Org. Chem., 78, 1778-1783 (2013). (PDF)

888. Christopher J. Rosenker, Elizabeth H. Krenske, K. N. Houk, and Peter Wipf: "Influence of Base and Structure in the Reversible Covalent Conjugate Addition of Thiol to Polycyclic Enone Scaffolds," Org. Lett., 15, 1076-1079 (2013). (PDF)

889. Elizabeth H. Krenske and K. N. Houk: "Aromatic Interactions as Control Elements in Stereoselective Organic Reactions," Acc. Chem. Res., 46, 979-989 (2013). (PDF)

890. Gert Kiss, Vijay S. Pande, and K. N. Houk: "Molecular Dynamics Simulations for the Ranking, Evaluation, and Refinement of Computationally Designed Proteins," Methods in Enzymology, 523, 145-170 (2013). (PDF)

891. Sinisa Bjelic, Lucas G. Nivon, Nihan Celebi-Olcum, Gert Kiss, Carolyn F. Rosewall, Helena M. Lovick, Erica L. Ingalls, Jasmine Lynn Gallaher, Jayaraman Seetharaman, Scott Lew, Gaetano Thomas Montelione, John Francis Hunt, Forrest Edwin Michael, K. N. Houk, and David Baker: "Computational Design of Enone-Binding Proteins with Catalytic Activity for the Morita-Baylis-Hillman Reaction," ACS Chem. Biol., 8 749-757 (2013). (PDF)

892. Elizabeth H. Krenske, Shuzhong He, Jian Huang, Yunfei Du, K. N. Houk, and Richard P. Hsung: "Intramolecular Oxyallyl-Carbonyl (3 + 2) Cycloadditions," J. Am. Chem. Soc., 135, 5242-5245 (2013). (PDF)

893. Ashay Patel, Gregg A. Barcan, Ohyun Kwon, and K. N. Houk: "Origins of 1,6-Stereoinduction in Torquoselective 6 pi Electrocyclizations," J. Am. Chem. Soc., 135, 4878-4883 (2013). (PDF)

894. Yvonne Schmidt, Jonathan K. Lam, Hung V. Pham, K. N. Houk, and Christopher D. Vanderwal: "Studies on the Himbert Intramolecular Arene/Allene Diels-Alder Cycloaddition. Mechanistic Studies and Expansion of Scope to All-Carbon Tethers," J. Am. Chem. Soc., 135, 7339-7348 (2013). (PDF)

895. Silvia Osuna, Seonah Kim, Guillaume Bollot, and Kendall N. Houk: "Aromatic Claisen Rearrangements of O-Prenylated Tyrosine and Model Prenyl Aryl Ethers: Computational Study of the Role of Water on Acceleration of Claisen Rearrangements," Eur. J. Org. Chem., 2823-2831 (2013). (PDF)

896. Xin Hong, Barry M. Trost, and K. N. Houk: "Mechanism and Origins of Selectivity in Ru(II)-Catalyzed Intramolecular (5+2) Cycloadditions and Ene Reactions of Vinylcyclopropanes and Alkynes from Density Functional Theory," J. Am. Chem. Soc., 135, 6588-6600 (2013). (PDF)

897. Lufeng Zou, Robert S. Paton, Albert Eschenmoser, Timothy R. Newhouse, Phil S. Baran, and K. N. Houk: "Enhanced Reactivity in Dioxirane C-H Oxidations via Strain Release: A Computational and Experimental Study," J. Org. Chem., 78, 4037-4048 (2013). (PDF)

898. Tom Mejuch, Noga Gilboa, Eric Gayon, Hao Wang, K. N. Houk, and Ilan Marek: "Axial Preferences in Allylation Reactions via the Zimmerman-Traxler Transition State," Acc. Chem. Res., 46, 1659-1669 (2013). (PDF)

899. Shudan Bian, Amy M. Scott, Yang Cao, Yong Liang, Silvia Osuna, K. N. Houk, and Adam B. Braunschweig: "Covalently Patterned Graphene Surfaces by a Force Accelerated Diels-Alder Reaction," J. Am. Chem. Soc., 135, 9240-9243 (2013). (PDF)

900. Gert Kiss, Nihan Celebi-Olcum, Rocco Moretti, David Baker, and K. N. Houk: "Computational Enzyme Design," Angew. Chem. Int. Ed., 52, 5700-5725 (2013). (PDF)

901. Xiufang Xu, Peng Liu, Xing-Zhong Shu, Weiping Tang, and K. N. Houk: "Rh-Catalyzed (5+2) Cycloadditions of 3-Acyloxy-1,4-enynes and Alkynes: Computational Study of Mechanism, Reactivity, and Regioselectivity," J. Am. Chem. Soc., 135, 9271-9274 (2013). (PDF)

902. Changxia Yuan, Yong Liang, Taylor Hernandez, Adrian Berriochoa, Kendall N. Houk, and Dionicio Siegel: "Metal-Free Oxidation of Aromatic Carbon-Hydrogen Bonds Through a Reverse-Reound Mechanism," Nature, 499, 192-196 (2013). (PDF)

903. Natalie C. James, Joann M. Um, Anne B. Padias, H. K. Hall Jr., and K. N. Houk: "Computational Investigation of the Competition Between the Concerted Diels-Alder Reaction and Formation of Diradicals in Reactions of Acrylonitrile with Nonpolar Dienes," J. Org. Chem., 78, 6582- 6592 (2013). (PDF)

904. Arne Dieckmann and K. N. Houk: "Analysis of Supramolecular Complex Energetics in Artifical Replicators," Chem. Sci., 4, 3591-3600 (2013). (PDF)

905. Xue Gao, Wei Jiang, Gonzalo Jimenez-Oses, Moon Seok Choi, Kendall N. Houk, Yi Tang, and Christopher T. Walsh: "An Iterative, Bimodular Nonribosomal Peptide Synthetase that Converts Anthranilate and Tryptophan into Tetracyclic Asperlicins," Chem. & Biol., 20, 870-878 (2013). (PDF)

906. David N. Kamber, Lidia A. Nazarova, Yong Liang, Steven A. Lopez, David M. Patterson, Hui-Wen Shih, K. N. Houk, and Jennifer A. Prescher: "Isomeric Cyclopropenes Exhibit Unique Bioorthogonal Reactivities," J. Am. Chem. Soc., 135, 13680-13683 (2013). (PDF)

907. Caroline Souris, Frederic Frebault, Ashay Patel, David Audisio, K. N. Houk, and Nuno Maulide: "Stereoselective Synthesis of Dienyl-Carboxylate Building Blocks: Formal Synthesis of Inthomycin C," Org. Lett. 15, 3242-3245 (2013). (PDF)

908. Fang Liu, Robert S. Paton, Seonah Kim, Yong Liang, and K. N. Houk: "Diels-Alder Reactivities of Strained and Unstrained Cycloalkenes with Normal and Inverse-Electron-Dmand- Dienes: Activation Barriers and Distortion/Interaction Analysis," J. Am. Chem. Soc., 135, 15642-15649 (2013). (PDF)

909. Jeffrey C. Holder, Lufeng Zou, Alexander N. Marziale, Peng Liu, Yu Lan, Michele Gatti, Kotaro Kikushima, K. N. Houk, and Brian M. Stoltz: "Mechanism and Enantioselectivity in Palladium-Catalyzed Conjugate Addition of Arylboronic Acids to beta-substituted Cyclic Enones: Insights from Computation and Experiment," J. Am. Chem. Soc., 135, 14996-15007 (2013). (PDF)

910. Lei Fang, Peng Liu, Benjamin R. Sveinbjornsson, Sule Atahan-Evrenk, Koen Vandewal, Silvia Osuna, Gonzalo Jimenez-Oses, Supriya Shrestha, Gaurav Giri, Peng Wei, Alberto Salleo, Alan Aspuru-Guzik, Robert H. Grubbs, K. N. Houk, and Zhenan Bao: "Confined Organization of Fullerene Units Along High Polymer Chains," J. Mater. Chem. C, 1, 5747-5755 (2013). (PDF)

911. Fang Liu, Hao Wang, and Kendall N. Houk: "Gating in Host-Guest Chemistry," Current Organic Chemistry, 17, 1470-1480 (2013). (PDF)

912. Gonzalo Jimenez-Oses, Anthony J. Brockway, Jared T. Shaw, and K. N. Houk: "Mechanism of Alkoxy Groups Substitution by Grignard Reagents on Aromatic Rings and Experimental Verification of Theoretical Predictions of Anomalous Reactions," J. Am. Chem. Soc., 135, 6633-6642 (2013). (PDF)

913. Martin Breugst, Albert Eschenmoser, and K. N. Houk: "Theoretical Exploration of the Mechanism of Riboflavin Formation from 6,7-Dimethyl-8-ribityllumazine: Nucleophilic Catalysis, Hydride Transfer, Hydrogen Atom Transfer, or Nucleophilic Addition?," J. Am. Chem. Soc., 135, 6658-6668 (2013). (PDF)

914. Arne Dieckmann, Matthew T. Richers, Alena Yu Platonova, Chen Zhang, Daniel Seidel, and K. N. Houk: "Metal-Free alpha-Amination of Secondary Amines: Computational and Experimental Evidence for Azaquinone Methide and Azomethine Ylide Intermediates," J. Org. Chem., 135, 4132-4144 (2013). (PDF)

915. Marie S. T. Morin, Daniel J. St-Cyr, Bruce Alan Arndtsen, Elizabeth H. Krenske, and K. N. Houk: "Modular Mesoionics: Understanding and Controlling Regioselectivity in 1,3-Dipolar Cycloaddtions of Munchnone Derivatives," J. Am. Chem. Soc., 135, 17349-17358 (2013). (PDF)

916. Hao Wang and K. N. Houk: "&Torsional Control of Stereoselectivities in Electrophilic Additions and Cycloadditions to Alkenes," Chem. Sci., 5, 462-470 (2014). (PDF)

917. Gregg M. Schwarzwalder, Sarah E. Steinhardt, Hung V. Pham, K. N. Houk, and Christopher D. Vanderwal: "Synthesis of the Tetracyclic Core of Exiguaquinol," Org. Lett., 15, 6014-6017 (2013). (PDF)

918. Shiyu Zhang, Nihan Celebi-Olcun, Marie M. Melzer, K. N. Houk, and Timothy H. Warren: "Copper(I) Nitrosyls from Reacion of Copper (II) Thiolates with S-Nitrosothiols: Mechanism of NO Release from RSNOs at Cu," J. Am. Chem. Soc., 135, 16746-16749 (2013). (PDF)

919. Yang Cao, Silvia Osuna, Yong Liang, Robert C. Haddon, and K. N. Houk: "Diels-Alder Reactions of Graphene: Computational Predictions of Products and Sites of Reaction," J. Am. Chem. Soc., 135, 17643-17649 (2013). (PDF)

920. Arlene Russell and Kendall N. Houk: "Orville Chapman, 1932-2004, A Biographical Memoir," Natl. Acad. Sci. Biographical Memoirs (2013). (PDF)

921. Xin Hong, Yong Liang, Allison K. Griffith, Tristan H. Lambert, and K. N. Houk: "Distortion-Accelerated Cycloadditions and Strain-Release-Promoted Cycloreversions in the Organocatalytic Carbonyl-Olefin Metathesis," Chem. Sci., 5, 471-475 (2014). (PDF)

922. Yun-Fang Yang, Gui-Juan Cheng, Peng Liu, Dasheng Leow, Tian-Yu Sun, Ping Chen, Xinhao Zhang, Jin-Quan Yu, Yun-Dong Wu, and K. N. Houk: "Palladium-Catalyzed Meta-Selective C-H Bond Activation with a Nitrile-Containing Template: Computational Study on Mechanism and Origins of Selectivity," J. Am. Chem. Soc., 136, 344-355 (2014). (PDF)

923. Jonathan K. Lam, Hung V. Pham, K. N. Houk, and Christopher D. Vanderwal: "Computation and Experiment Reveal That the Ring-Rearrangement Metathesis of Himbert Cycloadducts Can Be Subject to Kinetic or Thermodynamic Control," J. Am. Chem. Soc., 135, 17585-17594 (2013). (PDF)

924. Elizabeth H. Krenske, Ashay Patel, and K. N. Houk: "Does Nature Click? Theoretical Prediction of an Enzyme-Catalyzed Transannular 1,3-Dipolar Cycloaddition in the Biosynthesis of Lycojaponicumins A and B," J. Am. Chem. Soc., 135, 17638-17642 (2013). (PDF)

925. Silvia Osuna, Alpay Dermenici, Scott J. Miller, and K. N. Houk: "The Roles of Counterion and Water in a Stereoselective Cysteine-Catalyzed Rauhut-Currier Reaction: A Challenge for Computational Chemistry," Chem. Eur. J., 19, 14245-14253 (2013). (PDF)

926. Peter K. Dornan, Kevin G. M. Kou, K. N. Houk, and Vy M. Dong: "Dynamic Kinetic Resolution of Allylic Sulfoxides by Rh-Catalyzed Hydrogenation: A Combined Theoretical and Experimental Mechanistic Study," J. Am. Chem. Soc., 136, 291-298 (2014). (PDF)

927. Matthew F. L. Parker, Silvia Osuna, Guillaume Bollot, Shivaiah Vaddypally, Michael J. Zdilla, K. N. Houk, and Christian E. Schafmeister: "Acceleration of an Aromatic Claisen Rearrangement via a Designed Spiroligozyme Catalyst that Mimics the Ketosteroid Isomerase Catalytic Dyad," J. Am. Chem. Soc., 136, 3817-3827 (2014). (PDF)

928. C. Avery Sader and K. N. Houk: "Distortion/Interaction Analysis of the Reactivities and Selectivities of Halo- and Methoxy-Substituted Carbenes with Alkenes," ARKIVOC, 2014 (iii), 170-183 (2014). (PDF)

929. Hung V. Pham, Robert S. Paton, Audrey G. Ross, Samuel J. Danishefsky, and K. N. Houk: "Intramolecular Diels-Alder Reactions of Cycloalkenones: Stereoselectivity, Lewis Acid Acceleration, and Halogen Substituent Effects," J. Am. Chem. Soc., 136, 2397-2403 (2014). (PDF)

930. Denisse de Loera, Fang Liu, K. N. Houk, and Miguel A. Garcia-Garibay: "Aziridine Nitrogen Inversion by Dynamic NMR: Activation Parameters in a Fused Bicyclic Structure," J. Org. Chem., 78, 11623-11636 (2013). (PDF)

931. Olivier Loiseleur, Jerome Cassayre, Dominique Leca, Francesca Gaggini, Susan N. Pieniazek, Jennifer A. R. Luft, and Kendall N. Houk: "Control of Hetero-Diels-Alder Stereoselectivity through Solvent Polarity and Bronsted or Lewis Acid Catalysis: Theory and Experiment," Synlett, 24, 2446-2450 (2013). (PDF)

932. Martin Breugst, Rene Gree, and K. N. Houk: "Synergistic Effects between Lewis and Bronsted Acids: Application to the Prins Cyclization," J. Org. Chem., 78, 9892-9897 (2013). (PDF)

933. Gonzalo Jimenez-Oses, Peng Liu, Ricardo A. Matute, and Kendall N. Houk: "Competition Between Concerted and Stepwise Dynamics in the Triplet Di-pi-Methane Rearrangement," Angew. Chem. Int. Ed., 53, 8664-8667 (2014). (PDF)

934. Seoung-ryoung Choi, Martin Breugst, K. N. Houk, and C. Dale Poulter: "delta-Deuterium Isotope Effects as Probes for Transition State Structures of Isoprenoid Substrates," J. Org. Chem., 79, 3572-3580 (2014). (PDF)

935. Matthew T. Richers, Martin Breugst, Alena Yu Platonova, Anja Ullrich, Arne Dieckmann, K. N. Houk, and Daniel Seidel: "Redox-Neutral alpha-Oxygenation of Amines: Reaction Development and Elucidation of the Mechanism," J. Am. Chem. Soc., 136, 6123-6135 (2014). (PDF)

936. Jun Zhu, Yong Liang, Lijia Wang, Zhong-Bo Zheng, K. N. Houk, and Yi Tang: "Remote Ester Groups Switch Selectivity: Diastereodivergent Synthesis of Tetracyclic Spiroindolines," J. Am. Chem. Soc., 136, 6900-6903 (2014). (PDF)

937. Aaron G. Green, Peng Liu, Craig A. Merlic, and K. N. Houk: "Distortion/Interaction Analysis Reveals the Origins of Selectivities in Iridium-Catalyzed C-H Borylation of Substituted Arenes and 5-Membered Heterocycles," J. Am. Chem. Soc., 136, 4575-4583 (2014). (PDF)

938. Huiliang Wang, Ghada I. Koleilat, Peng Liu, Gonzalo Jimenez-Oses, Ying-Chih Lai, Michael Vosgueritchian, Ya Fang, Steve Park, Kendall N. Houk, and Zhenan Bao: "High-Yield-Sorting of Small-Diameter Carbon Nanotubes for Solar Cells and Transistors," ACS Nano, 8, 2609-2617 (2014). (PDF)

939. Jun Yang, Yong Liang, Jolita Seckute, K. N. Houk, Neal K. Devaraj: "Synthesis and Reactivity Comparisons of 1-Methyl-3-Substituted Cyclopropene Mini-tags for Tetrazine Bioorthogonal Reactions," Chem. Eur. J., 20, 3365-3375 (2014). (PDF)

940. Xin Hong, Yong Liang, and K. N. Houk: "Mechanisms and Origins of Switchable Chemoselectivity of Ni-Catalyzed C(aryl)-O and C(acyl)-O Activation of Aryl Esters with Phosphone Ligands," J. Am. Chem. Soc., 136, 2017-2025 (2014). (PDF)

941. Gui-Juan Cheng, Yun-Fang Yang, Peng Liu, Ping Chen, Tian-Yu Sun, Gang Li, Xinhao Zhang, K. N. Houk, Jin-Quan Yu, and Yun-Dong Wu: "Role of N-Acyl Amino Acid Ligands in Pd(II)-Catalyzed Remote C-H Activation of Tethered Arenes," J. Am. Chem. Soc., 136, 894-897 (2014). (PDF)

942. Michael E. Jung, Gloria S. Lee, Hung V. Pham, and K. N. Houk: "Palladium Hydride Promoted Stereoselective Isomerization of Unactivated Di(exo)methylenes to Endocyclic Dienes," Org. Lett., 16, 2382-2385 (2014). (PDF)

943. Jeffrey S. Cannon, Lufeng Zou, Peng Liu, Yu Lan, Daniel J. O’Leary, K. N. Houk, and Robert H. Grubbs: "Carboxylate-Assisted C(sp3)-H Activation in Olefin Metathesis-Relevant Ruthenium Complexes," J. Am. Chem. Soc., 136, 6733-6743 (2014). (PDF)

944. Gabrielle J. Dugas, Yu-hong Lam, K. N. Houk, and Isaac J. Krauss: "Boron Carboxylate Catalysis of Homoallylboration," J. Org. Chem., 79, 4277-4284 (2014). (PDF)

945. Gonzalo Jimenez-Oses, Silvia Osuna, Xue Gao, Michael R. Sawaya, Lynne Gilson, Steven J. Collier, Gjalt W. Huisman, Todd O. Yeates, Yi Tang, and K. N. Houk: "The Role of Distant Mutations and Allosteric Regulation on LovD Active Site Dynamics," Nature Chem. Biol., 10, 431-436 (2014). (PDF)

946. Anh T. Tran, Peng Liu, K. N. Houk, and Kenneth M. Nicholas: "Regioselectivity in the Cu(I)-Catalyzed [4+2]-Cycloaddition of 2-Nitrosopyridine with Unsymmetrical Dienes," J. Org. Chem., 79, 5617-5626 (2014). (PDF)

947. K. N. Houk: "Foreword: Applied Computational Chemistry," Chem. Soc. Rev., 43, 4905-4905 (2014). (PDF)

948. Claire L. Jarvis, Matthew T. Richers, Martin Breugst, K. N. Houk, and Daniel Seidel: "Redox-Neutral alpha-Sulfenylation of Secondary Amines: Ring-Fused N,S-Acetals," Org. Lett., 16, 3556-3559 (2014). (PDF)

949. Steven Lopez and K. N. Houk: "Substituent Effects on Rates and Torquoselectivities of Electrocyclic Ring-Openings of N-Substituted 2-Azetines," J. Org. Chem., 79, 6189-6195 (2014). (PDF)

950. Fang Liu, Roger C. Helgeson, and K. N. Houk: "Building on Cram's Legacy: Stimulated Gating in Hemicarcerands," Acc. Chem. Res., 47, 2168-2176 (2014). (PDF)

951. Martin Breugst and K. N. Houk: "Computational Analysis of Cyclophane-Based Bisthiourea-Catalyzed Henry Reactions," J. Org. Chem., 79, 6302-6309 (2014). (PDF)

952. Yu-hong Lam and K. N. Houk: "How Cinchona Alkaloid-Derived Primary Amines Control Asymmetric Electrophilic Fluorination of Cyclic Ketones," J. Am. Chem. Soc., 136, 9556-9559 (2014). (PDF)

953. Xu Han, Shudan Bian, Yong Liang, K. N. Houk, and Adam B. Braunschweig: "Reactions in Elastomeric Nanoreactors Reveal the Role of Force on the Kinetics of the Huisgen Reaction on Surfaces," J. Am. Chem. Soc., 136, 10553-10556 (2014). (PDF)

954. Yang Cao, Yong Liang, Lei Zhang, Silvia Osuna, Andra-Lisa M. Hoyt, Alajandro L. Briseno, and K. N. Houk: "Why Bistetracenes Are Much Less Reactive Than Pentacenes in Diels-Alder Reactions with Fullerenes," J. Am. Chem. Soc., 136, 10743-10751 (2014). (PDF)

955. Xiao-Na Wang, Elizabeth H. Krenske, Ryne C. Johnston, K. N. Houk, and Richard P. Hsung: "Torquoselective Ring Opening of Fused Cyclobutenamides: Evidence for a Cis, Trans-Cyclooctadienone Intermediate," J. Am. Chem. Soc., 136, 9802-9805 (2014). (PDF)

956. Hasnain A. Malik, Buck L. H. Taylor, John R. Kerrigan, Jonathan E. Grob, K. N. Houk, J. Du Bois, Lawrence G. Hamann, and Andrew W. Patterson: "Non-Directed Allylic C-H Acetoxylation in the Presence of Lewis Basic Hetercycles," Chem. Sci., 5, 2352-2361 (2014). (PDF)

957. Youcai Hu, David Dietrich, Wei Xu, Ashay Patel, Justin A. J. Thuss, Jingjing Wang, Wen-Bind Yin, Kangjian Qiao, K. N. Houk, John C. Vederas, and Yi Tang: "A Carbonate-Forming Baeyer-Villiger Monooxygenase," Nature Chem. Biol., 10, 552-554 (2014). (PDF)

958. Fang Liu, Yong Liang, and K. N. Houk: "Theoretical Elucidation of the Origins of Substituent and Strain Effects on the Rates of Diels-Alder Reactions of 1,2,4,5-Tetrazines," J. Am. Chem. Soc., 136, 11483-11493 (2014). (PDF)

959. Xin Hong, Yong Liang, Matthias Brewwer, and K. N. Houk: "How Tethers Control the Chemo- and Regioselectivities of Intramolecular Cycloadditions between Aryl-1-aza-2-azoniaallenes and Alkenes," Org. Lett., 16, 4260-4263 (2014). (PDF)

960. Steven A. Lopez, Melika Pourati, Hans Joachim Gais, and K. N. Houk: "How Torsional Effects Cause Attack at Sterically Crowded Concave Faces of Bicyclic Alkenes," J. Org. Chem., 79, 8305-8312 (2014). (PDF)

961. Shan-Shui Meng, Yong Liang, Kou-Sen Cao, Lufeng Zou, Xing-Bang Lin, Hui Yang, K. N. Houk, and Wen-Hua Zheng: "Chiral Phosphoric Acid Catalyzed Highly Enantioselective Desymmetrization of 2-Substituted and 2,2-Disubstituted 1,3-Diols via Oxidative Cleavage of Benzylidene Acetals," J. Am. Chem. Soc., 136, 12249-12252 (2014). (PDF)

962. Xin Hong, Hatice Baspinar Kucuk, Modhu Sudan Maji, Yun-Fang Yang, Magnus Rueping, and K. N. Houk: "Mechanism and Selectivity of N-Triflylphosphoramide Catalyzed (3+ +2) Cycloaddition between Hydrazones and Alkenes," J. Am. Chem. Soc., 136, 13769-13780 (2014). (PDF)

963. Yun-Fang Yang, Lung Wa Chung, Xinhao Zhang, K. N. Houk, and Yun-Dong Wu: "Ligand-Controlled Reactivity, Selectivity, and Mechanism of Cationic Ruthenium-Catalyzed Hydrosilylations of Alkynes, Ketones, and Nitriles: A Theoretical Study," J. Org. Chem., 79, 8856-8864 (2014). (PDF)

964. Hung V. Pham and K. N. Houk: "Diels-Alder Reactions of Allene with Benzene and Butadiene: Concerted, Stepwise, and Ambimodal Transition States," J. Org. Chem., 79, 8968-8976 (2014). (PDF)

965. Ricardo A. Matute, Miguel A. Garcia-Garibay, and K. N. Houk: "Theory of Substituent Effects on the Regioselectivity of Di-pi-methane Rearrangements of Dibenzobarrelenes," Org. Lett., 16, 5232-5234 (2014). (PDF)

966. Jose M. Medina, Travis C. McMahon, Gonzalo Jimenez-Oses, K. N. Houk, and Neil K. Garg: "Cycloadditions of Cyclohexynes and Cyclopentyne," J. Am. Chem. Soc., 136, 14706-14709 (2014). (PDF)

967. Huiliang Wang, Bing Hsieh, Gonzalo Jimenez-Oses, Peng Liu, Christopher J. Tassone, Ying Diao, Ting Lei, Kendall N. Houk, and Zhenan Bao: "Solvent Effects on Polymer Sorting of Carbon Nanotunes with Applications in Printed Electronics," Small, 11, 126-133 (2015). (PDF)

968. Quentin Michaudel, Guillaume Journot, Alicia Regueiro-Ren, Animesh Goswami, Zhiwei Guo, Thomas P. Tully, Lufeng Zou, Raghunath O. Ramabhadran, Kendall N. Houk, and Phil S. Baran: "Improving Physical Properties via C-H Oxidation: Chemical and Enzymatic Approaches," Angew. Chem. Int. Ed., 45, 12091-12096 (2014). (PDF)

969. Zhongyu Yang, Gonzalo Jimenez-Oses, Carlos J. Lopez, Michael D. Bridges, K. N. Houk, and Wayne L. Hubbell: "Long-Range Distance Measurements in Proteins at Physiological Temperatures Using Saturation Recovery EPR Spectroscopy," J. Am. Chem. Soc., 136, 15356-15365 (2014). (PDF)

970. Jose M. Medina, Joel L. Mackey, Neil K. Garg, and K. N. Houk: "The Role of Aryne Distortions, Steric Effects, and Charges in Regioselectivities of Aryne Reactions," J. Am. Chem. Soc., 136, 15798-15805 (2014). (PDF)

971. Xin Hong, Dane Holte, Daniel C. G. Gotz, Phil S. Baran, and K. N. Houk: "Mechanism, Reactivity, and Selectivity of Nickel-Catalyzed [4 + 4 + 2] Cycloadditions of Dienes and Alkynes," J. Org. Chem., 79, 12177-12184 (2014). (PDF)

972. Yong Liang, Xin Hong, Peiyuan Yu, and K. N. Houk: "Why Alkynyl Substituents Dramatically Accelerate Hexadehydro-Diels-Alder (HDDA) Reactions: Stepwise Mechanisms of HDDA Cycloadditions," Org. Lett., 16, 5702-5705 (2014). (PDF)

973. K. N. Houk and Peng Liu: "Using Computational Chemistry to Understand & Discover Chemical Reactions," Daedalus, Fall, 49-66 (2014). (PDF)

974. Jean-Luc Bredas and Kendall N. Houk: "DFT Elucidation of Materials Properties," Acc. Chem. Res., 47, 3207-3207 (2014). (PDF)

975. Md. Anwar Hossain, Hoon Sik Kim, K. N. Houk, and Minserk Cheong: "Spin-Crossover in Chromium-Catalyzed Ethylene Trimerization: Density Functional Theory Study," Bull. Korean Chem. Soc., 35, 2835-2838 (2014). (PDF)

976. Ashay Patel and K. N. Houk: "Terminal Substituent Effects on the Reactivity, Thermodynamics, and Stereoselectivity of the 8pi-6pi Electrocyclization Cascades of 1,3,5,7-Tetraenes," J. Org. Chem., 79, 11370-11377 (2014). (PDF)

977. Sharon Rose Neufeldt, Gonzalo Jimenez-Oses, Daniel L. Comins, and K. N. Houk: "A Twist on Facial Selectivity of Hydride Reductions of Cyclic Ketones: Twist-Boat Conformers in Cyclohexanone, Piperidone, and Tropinone Reactions," J. Org. Chem., 79, 11609-11618 (2014). (PDF)

978. Xin Hong, Matthew C. Stevens, Peng Liu, Paul A. Wender, and K. N. Houk: "Reactivity and Chemoselectivity of Allenes in Rh(I)-Catalyzed Intermolecular (5+2) Cycloadditions with Vinylcyclopropanes: Allene-Mediated Rhodacycle Formation Can Poison Rh(I)-Catalyzed Cycloadditions," J. Am. Chem. Soc., 136, 17273-17383 (2014). (PDF)

979. Kendall N. Houk: "Computational Enzyme Design and Methods to Predict the Role of Remote Mutations," in New Chemistry and New Opportunities from the Expanding Protein Universe, 23rd International Solvay Conference on Chemistry, pp. 70-74, K. Wuthrich, I. A. Winson, D. Hilvert, D. W. Wolan, and A. De Wit, editors, New Jersey: World Scientific Publishing Co. (2014). (PDF)

980. Edward Richmond, Kenneth B. Ling, Nicolas Duquet, Lois B. Manton, Nihan Celebi-Olcum, Yu-Hong Lam, Sezen Alsancak, Alexandra M. Z. Slawin, K. N. Houk, and Andrew D. Smith: "An Asymmetric Pericyclic Cascade Approach to 3-alkyl-3-aryloxindoles: Generality, Applications, and Mechanistic Investigations," Org. Biomol. Chem., 13, 1807-1817 (2015). (PDF)

981. M. Taylor Haynes II, Peng Liu, Ryan D. Baxter, Alex J. Nett, K. N. Houk, and John Montgomery: "Dimer Involvement and Origin of Crossover in Nickel-Catalyzed Aldehyde-Alkyne Reductive Couplings," J. Am. Chem. Soc., 136, 17495-17504 (2014). (PDF)

982. Puneet Kumar, Ashish Thakur, Xin Hong, K. N. Houk, and Janis Louie: "Ni(NHC)-Catalyzed Cycloaddition of Diynes and Tropone: Apparent Enone Cycloaddition Involving an 8pi Insertion," J. Am. Chem. Soc., 136, 17844-17851 (2014). (PDF)

983. Jiali Gao, John Z. H. Zhang, and Kendall N. Houk: "Beyond QM/MM: Fragment Quantum Mechanical Methods," Acc. Chem. Res., 47, 2711-2711 (2014). (PDF)

984. Lei Zhang, Yang Cao, Nicholas S. Colella, Yong Liang, Jean-Luc Bredas, K. N. Houk, and Alejandro L. Briseno: "Unconventional, Chemically Stable, and Soluble Two-Dimensional Angular Polycyclic Aromatic Hydrocarbons: From Molecular Design to Device Applications," Acc. Chem. Res., 48, 500-509 (2015). (PDF)

985. Scott E. Denmark, Wen-Tau T. Chang, K. N. Houk, and Peng Liu: "Development of Chiral Bis-hydrazone Ligands for the Enantioselective Cross-Coupling Reactions of Aryldimethylsilanolates," J. Org. Chem., 80, 313-366 (2015). (PDF)

986. Weixin Tang, Gonzalo Jimenez-Oses, K. N. Houk, and Wilfred A. van der Donk: "Substrate Control in Stereoselective Lanthionine Biosynthesis," Nature Chemistry, 7, 57-64 (2014). (PDF)

987. Ilhan Yavuz, Lei Zhang, Alejandro L. Briseno, and K. N. Houk: "Simulations of Molecular Ordering and Charge-Transport of Oligo-Didodecylquaterthiophenes (DDQT)," J. Phys. Chem. C., 119, 158-165 (2015). (PDF)

988. Elizabeth H. Krenske, K. N. Houk, and Michael Harmata: "Computational Analysis of the Stereochemical Outcome in the Imidazolidinone-Catalyzed Enantioselective (4+3) Cycloaddition Reaction," J. Org. Chem., 80, 744-750 (2015). (PDF)

989. Jiyong Park, Hung V. Pham, Kristian Mogensen, Theis Ivan Solling, Martin Vad Bennetzen, and K. N. Houk: "Hydrocarbon Binding by Proteins: Structures of Protein Binding Sites for >C10 Linear Alkanes or Long-Chain Alkyl and Alkenyl Groups," J. Org. Chem., 80, 997-1005 (2015). (PDF)

990. Elias Picazo, K. N. Houk, and Neil K. Garg: "Computational Predictions of Substituted Benzyne and Indolyne Regioselectivities," Tet. Lett., 56, 3511-3514 (2015). (PDF)

991. Cornelia L. Boeser, Jeffrey C. Holder, Buck L. H. Taylor, K. N. Houk, Brian M. Stoltz, and Richard N. Zare: "Mechanistic Analysis of an Asymmetric Palladium-Catalyzed Conjugate Addition of Arylboronic Acids to beta-Substituted Cyclic Enones," Chem. Sci., 6, 1917-1922 (2015). (PDF)

992. Yu-hong Lam and K. N. Houk: "Origins of Stereoselectivity in Intramolecular Aldol Reactions Catalyzed by Cinchona Amines," J. Am. Chem. Soc., 137, 2116-2127 (2015). (PDF)

993. Sheng Xie, Steven A. Lopez, Olof Ramstrom, Mingdi Yan, and K. N. Houk: "1,3-Dipolar Cycloaddition Reactivities of Perfluorinated Aryl Azides with Enamines and Strained Dipolarophiles," J. Am. Chem. Soc., 137, 2958-2966 (2015). (PDF)

994. Salvador Perez-Estrada, Braulio Rodriguez-Molina, Leilei Xiao, Rosa Santillan, Gonzalo Jimenez-Oses, K. N. Houk, and Miguel A. Garcia-Garibay: "Thermodynamic Evaluation of Aromatic CH/pi Interactions and Rotational Entropy in a Molecular Rotor," J. Am. Chem. Soc., 137, 2175-2178 (2015). (PDF)

995. Ashay Patel, Frederick G. West, and K. N. Houk: "Reactivity and Stereoselective of 6pi and Nazarov Electrocyclization of Bridged Bicyclic Trienes and Divinyl Ketones," J. Org. Chem., 80, 2790-2795 (2015). (PDF)

996. Yonghao Zheng, Mao-sheng Miao, Geraldine Dantelle, Nancy D. Eisenmenger, Guang Wu, Ilhan Yavuz, Michael L. Chabinyc, K. N. Houk, and Fred Wudl: "A Solid-State Effect Responsible for an Organic Quintet State at Room Temperature and Ambient Pressure," Adv. Mater., 27, 1718-1723 (2015). (PDF)

997. Ilhan Yavuz, Blanton N. Martin, Jiyong Park, and K. N. Houk: "Theoretical Study of the Molecular Ordering, Paracrystallinity, and Charge Mobilities of Oligomers in Different Crystalline Phases," J. Am. Chem. Soc., 137, 2856-2866 (2015). (PDF)

998. Yoshitaka Numajiri, Gonzalo Jimenez-Oses, Bo Wang, K. N. Houk, and Brian M. Stoltz: "Enantioselective Synthesis of Dialkylated N-Heterocycles by Palladium-Catalyzed Allylic Alkylation," Org. Lett., 17, 1082-1085 (2015). (PDF)

999. Silvia Osuna, Gonzalo Jimenez-Oses, Elizabeth L. Noey, and K. N. Houk: "Molecular Dynamics Explorations of Active Site Structure in Designed and Evolved Enzymes," Acc. Chem. Res., 48, 1080-1089 (2015). (PDF)

1000. Lisa Tork, Gonzalo Jimenez-Oses, Charles Doubleday, Fang Liu, and K. N. Houk: "Molecular Dynamics of the Diels-Alder Reactions of Tetrazines with Alkenes and N2 Extrusions from Adducts," J. Am. Chem. Soc., 137, 4749-4758 (2015). (PDF)

1001. Brian J. Levandowski and K. N. Houk: "Theoretical Analysis of Reactivity Patterns in Diels-Alder Reactions of Cyclopentadiene, Cyclohexadiene, and Cycloheptadiene with Symmetrical and Unsymmetrical Dienophiles," J. Org. Chem., 80, 3530-3537 (2015). (PDF)

1002. Huiliang Wang, Yaoxuan Li, Gonzalo Jimenez-Oses, Peng Liu, Ya Fang, Jie Zhang, Ying-Chih Lai, Steve Park, Liwei Chen, Kendall N. Houk, and Zhenan Bao: "N-Type Conjugated Polymer-Enabled Selectivity Disperson of Semiconducting Carbon Nanotubes for Flexible CMOS-Like Circuits," Adv. Func. Mat., 25, 1837-1844 (2015). (PDF)

1003. Travis C. McMahon, Jose M. Medina, Yun-Fang Yang, Bryan J. Simmons, K. N. Houk, and Neil K. Garg: "Generation and Regioselective Trapping of a 3,4-Piperidyne for the Synthesis of Functionalized Heterocycles," J. Am. Chem. Soc., 137, 4082-4085 (2015). (PDF)

1004. Xiao-Na Wang, Elizabeth H. Krenske, Ryne C. Johnston, K. N. Houk, and Richard P. Hsung: "AlCl3-Catalyzed Ring Expansion Cascades of Bicyclic Cyclobutenamides Involving Highly Strained Cis, Trans-Cycloheptadienone Intermediates," J. Am. Chem. Soc., 137, 5596-5601 (2015). (PDF)

1005. Zhi-Xiong Ma, Ashay Patel, K. N. Houk, and Richard P. Hsung: "Highly Torquoselective Electrocyclizations and Competing 1,7-Hydrogen Shifts of 1-Azatrienes with Silyl Substitution at the Allylic Carbon," Org. Lett., 17, 2138-2141 (2015). (PDF)

1006. Keary M. Engle, Gang Lu, Shao-Xiong Luo, Lawrence M. Henling, Michael K. Tekase, Peng Liu, K. N. Houk, and Robert H. Grubbs: "Origins of Initiation Rate Differences in Ruthenium Olefin Metathesis Catalysts Containing Chelating Benzylidenes," J. Am. Chem. Soc., 137, 5782-5792 (2015). (PDF)

1007. Elizabeth H. Krenske, Sarah Lam, Jerome P. L. Ng, Brian Lo, Sze Kui Lam, Pauline Chiu, Kendall N. Houk: "Concerted Ring Opening and Cycloaddition of Chiral Epoxy Enolsilanes with Dienes," Angew. Chem., 54, 7422-7425 (2015). (PDF)

1008. Peng Liu, Buck L. H. Taylor, Jesus Garcia-Lopez, and Kendall N. Houk: "Computational Studies of Ruthenium-Catalyzed Olefin Metathesis," in Handbook of Metathesis, 2nd ed., vol. 1, 199-252, Wiley-VCH (2015). (PDF)

1009. Myles B. Herbert, Benjamin A. Suslick, Peng Liu, Lufeng Zou, Peter K. Dornan, K. N. Houk, and Robert H. Grubbs: "Cyclometalated Z-Selective Ruthenium Metathesis Catalysts with Modified N-Chelating Groups," Organometallics, 34, 2858-2869 (2015). (PDF)

1010. C. Thiehoff, M. C. Holland, C. Daniliuc, K. N. Houk, and R. Gilmour: "Can Acyclic Conformational Control Be Achieved via a Sulfur-Flourine Gauche Effect?," Chem. Sci., 6, 3565-3571 (2015). (PDF)

1011. Hung V. Pham, Alexander S. Karns, Christopher D. Vanderwal, and K. N. Houk: "Computational and Experimental Investigators of the Formal Dyotropic Rearrangements of Himbert Arene/Allene Cycloadducts," J. Am. Chem. Soc., 137, 6956-6964 (2015). (PDF)

1012. Tao Yang, Shigeru Nagase, Takeshi Akasaka, Josep M. Poblet, K. N. Houk, Masahiro Ehara, and Xiang Zhao: "(2 + 2) Cycloaddition of Benzyne to Endohedral Metallofullerenes M3N@C80 (M = Sc, Y): A Rotating-Intermedicate Mechanism," J. Am. Chem. Soc., 137, 6820-6828 (2015). (PDF)

1013. Chendan Zhu, Yong Liang, Xin Hong, Heqing Sun, Wei-Yin Sun, K. N. Houk, and Zhuangzhi Shi: "Iodoarene-Catalyzed Stereospecific Intramolecular sp3 C-H Amination: Reaction Development and Mechanistic Insights," J. Am. Chem. Soc., 137, 7564-7567 (2015). (PDF)

1014. David N. Kamber, Yong Liang, Robert J. Blizzard, Fang Liu, Ryan A. Mehl, K. N. Houk, and Jennifer A. Prescher: "1,2,4-Triazines Are Versatile Bioorthogonal Reagents," J. Am. Chem. Soc., 137, 8388-8391 (2015). (PDF)

1015. Matthew N. Grayson, Michael J. Krische, and K. N. Houk: "Ruthenium-Catalyzed Asymmetric Hydrohydroxyalkylation of Butadiene: The Role of the Formyl Hydrogen Bond in Stereochemical Control," J. Am. Chem. Soc., 137, 8838-8850 (2015). (PDF)

1016. Xin Hong, Daniel A. Bercovici, Zhongyue Yang, Nezar Al-Bataineh, Ramya Srinivasan, Ram C. Dhakal, K. N. Houk, and Matthias Brewer: "Mechanism and Dynamics of Intramolecular C-H Insertion Reactions of 1-Aza-2-azoniaallene Salts," J. Am. Chem. Soc., 137, 9100-9107 (2015). (PDF)

1017. Alison R. H. Narayan, Gonzalo Jimenez-Oses, Peng Liu, Solymar Negretti, Wanxiang Zhao, Michael M. Gilbert, Raghunath O. Ramabhadran, Yun-Fang Yang, Lawrence R. Furan, Zhe Li, Larissa M. Podust, John Montgomery, K. N. Houk, and David H. Sherman: "Enzymatic Hydroxylation of an Unactivated Methylene C-H Bond Guided by Molecular Dynamics Simulations," Nature Chem., 7, 653-660 (2015). (PDF)

1018. Sharon R. Neufeldt, Gonzalo Jimenez-Oses, John R. Huckins, Oliver R. Thiel, and K. N. Houk: "Pyridine N-Oxide vs. Pyridine Substrates for RH(III)-Catalyzed Oxidative C-H Bond Functionalization," J. Am. Chem. Soc., 137, 9843-9854 (2015). (PDF)

1019. Andrew M. Camelio, Yong Liang, Anders M. Eliasen, Trevor C. Johnson, Changxia Yuan, Alex W. Schuppe, K. N. Houk, and Dionicio Siegel: "Computational and Experimental Studies of Phthaloyl Peroxide-Mediated Hydroxylation of Arenes Yield a More Reactive Derivative, 4-5-Dichlorophthaloyl Peroxide," J. Org. Chem., 80, 8084-8095 (2015). (PDF)

1020. Liana Hie, Noah F. Fine Nathel, Tejas K. Shah, Emma L. Baker, Xin Hong, Yun-Fang Yang, Peng Liu, K. N. Houk, and Neil K. Garg: "Conversion of Amides to Esters by the Nickel-Catalyzed Activation of Amide C-N Bonds," Nature, 524, 79-83 (2015). (PDF)

1021. Daniel T. Hog, Florian M. E. Huber, Gonzalo Jimenez-Oses, Peter Mayer, Kendall N. Houk, Dirk Trauner: "Evolution of a Unified Strategy for Complex Sesterterpenoids: Progress toward Astellatol and the Total Synthesis of (-)-Nitidasin," Chem. Eur. J., 21, 13646-13665 (2015). (PDF)

1022. Tim S. Chung, Steven A. Lopez, K. N. Houk, and Miguel A. Garcia-Garibay: "Stereospecific Synthesis of Substituted Aziridines by a Crystal-to-Crystal Photodenitrogenation of ∆2-1,2,3-Triazolines," Org. Lett., 17, 4568-4571 (2015). (PDF)

1023. Kazuya Honda, Steven A. Lopez, K. N. Houk, and Koichi Mikami: "Mono-, Di-, and Trifluoroalkyl Substituent Effects on the Torquoselectivities of Cyclobutene and Oxetene Electrocyclic Ring Openings," J. Org. Chem., 80, 11768-11772 (2015). (PDF)

1024. Mie Hojer Larsen, K. N. Houk, and A. Stephen K. Hashmi: "Dual Gold Catalysis: Stepwise Catalyst Transfer via Dinuclear Clusters," J. Am. Chem. Soc., 137, 10668-10676 (2015). (PDF)

1025. Xin Hong, Jinglin Wang, Yun-Fang Yang, Lisi He, Chun-Yu Ho, and K. N. Houk: "Computational Exploration of Mechanism and Selectivities of (NHH)Nickel(II)hydride-Catalyzed Hydroalkenylations of Styrene with alpha-Olefins," ACS Catal., 5, 5545-5555 (2015). (PDF)

1026. Xu-Ming Mao, Zha-Jun Zhan, Matthew N. Grayson, Man-Cheng Tang, Wei Xu, Yong-Quan Li, Wen-Bing Yin, Hsiao-Ching Lin, Yit-Heng Chooi, K. N. Houk, and Yi Tang: "Efficient Biosynthesis of Fungal Polyketides Containing the Dioxabicyclo-octane Ring System," J. Am. Chem. Soc., 137, 11904-11907 (2015). (PDF)

1027. Austin H. Asari, Yu-hong Lam, Marcus A. Tius, and K. N. Houk: "Origins of the Stereoselectivity in a Thiourea-Primary Amine-Catalyzed Nazarov Cyclization," J. Am. Chem. Soc., 137, 13191-13199 (2015). (PDF)

1028. Peiyuan Yu, Ashay Patel, and K. N. Houk: "Transannular [6 + 4] and Ambimodal Cycloaddition in the Biosynthesis of Heronamide A," J. Am. Chem. Soc., 137, 13518-13523 (2015). (PDF)

1029. Cyndi Qixin He, Tiffany Q. Chen, Ashay Patel, Sedef Karabiyikoglu, Craig A. Merlic, and K. N. Houk: "Distortion, Tether, and Entropy Effects on Transannular Diels-Alder Cycloaddition Reactions of 10-18-Membered Rings," J. Org. Chem., 80, 11039-11047 (2015). (PDF)

1030. Brian J. Levandowski, Lufeng Zou, and K. N. Houk: "Schleyer Hyperconjugative Aromaticity and Diels-Alder Reactivity of 5-Substituted Cyclopentadienes," J. Comput. Chem., 37, 117-123 (2016). (PDF)

1031. Ashay Patel, Joseph R. Vella, Zhi-Xiong Ma, R. P. Hsung, and K. N. Houk: "Transition State Gauche Effects Control the Torquoselectivities of the Electrocyclizations of Chiral 1-Azatrienes," J. Org. Chem., 80, 11888-11894 (2015). (PDF)

1032. Zhongyue Yang, Charles Doubleday, and K. N. Houk: "QM/MM Protocol for Direct Molecular Dynamics of Chemical Reactions in Solution: The Water-Accelerated Diels-Alder Reaction," J. Chem. Theory Comput., 11, 5605-5612 (2015). (PDF)

1033. Maruthi Kumar Narayanam, Yong Liang, K. N. Houk, and Jennifer M. Murphy: "Discovery of New Mutually Orthogonal Bioorthogonal Cycloaddition Pairs Through Computational Screening," Chem. Sci., 7, 1257-1261 (2016). (PDF)

1034. Eric M. Phillips, Tehetena Mesganaw, Ashay Patel, Simon Duttwyler, Brandon Q. Mercado, K. N. Houk, and Jonathan A. Ellman: "Synthesis of ent-Ketorfanol via a C-H Alkenylation/Torquoselective 6pi Electrocyclization Cascade," Angew. Chem. Int. Ed., 54, 12044-12048 (2015). (PDF)

1035. Michio Sato, Fumitoshi Yagashita, Takashi Mino, Nahoko Uchiyama, Ashay Patel, Yit-Heng Chooi, Yukihiro Goda, Wei Xu, Hiroshi Nogushi, Tsuyoshi Yamamoto, Kinya Hotta, K. N. Houk, Yi Tang, and Kenji Watanabe: "Involvement of Lipocalin-like CghA in Decalin-Forming Stereoselective Intramolecular [4+2] Cycloaddition," ChemBioChem, 16, 2294-2298 (2015). (PDF)

1036. Ryan D. Baxter, Yong Liang, Xin Hong, Timothy A. Brown, Richard N. Zare, K. N. Houk, Phil S. Baran, and Donna G. Blackmond: "Mechanistic Insights into Two-Phase Radical C-H Arylations," ACS Cent. Sci, 1, 456-462 (2015). (PDF)

1037. Joel F. Hooper, Natalie C. James, Esra Bozkurt, Viktorya Aviyente, Jonathan M. White, Mareike C. Holland, Ryan Gilmour, Andrew B. Holmes, and K. N. Houk: "Medium-Ring Effects on the Endo/Exo Selectivity of the Organocatalytic Intramolecular Diels-Alder Reaction," J. Org. Chem., 80, 12058-12075 (2015). (PDF)

1038. Elizabeth L. Noey, Nidhi Tibrewal, Gonzalo Jimenez-Oses, Silvia Osuna, Jiyong Park, Carly M. Bond, Duilio Cascio, Jack Liang, Xiyun Zhang, Gjalt W. Huisman, Yi Tang, and Kendall N. Houk: "Origins of Stereoselectivity in Evolved Ketoreductases," Proc. Natl. Acad. Sci. USA, 112, E7065-E7072 (2015). (PDF)

1039. Mary C. Walton, Yun-Fang Yang, Xin Hong, K. N. Houk, and Larry E. Overman: "Ligand-Controlled Diastereoselective 1,3-Dipolar Cycloadditions of Azomethine Ylides with Methacrylonitrile," Org. Lett., 17, 6166-6169 (2015). (PDF)

1040. Michael E. Jung, Courtney A. Roberts, Felix Perez, Hung V. Pham, Lufeng Zou, and K. N. Houk: "Thermodynamic Control of Isomerizations of Bicyclic Radicals: Interplay of Ring Strain and Radical Stabilization," Org. Lett., 18, 32-35 (2016). (PDF)

1041. Adam Simon, Yu-hong Lam, and K. N. Houk: "Transition States of Vicinal Diamine-Catalyzed Aldol Reactions," J. Am. Chem. Soc., 138, 503-506 (2016). (PDF)

1042. L. E. Rosebrugh, T. S. Ahmed, V. M. Marx, J. Hartung, P. Liu, J. G. Lopez, K. N. Houk, and R. H. Grubbs: "Probing Stereoselectivity in Ring-Opening Metathesis Polymerization Mediated by Cyclometalated Ruthenium-Based Catalysts: A Combined Experimental and Computational Study," J. Am. Chem. Soc., 138, 1394-1405 (2016). (PDF)

1043. Mareike C. Holland, Ryan Gilmour, and K. N. Houk: "Importance of Intermolecular Hydrogen Bonding for the Stereochemical Control of Allene-Enone (3+2) Annulations Catalyzed by a Bifunctional, Amino Acid Derived Phosphine Catalyst," Angew. Chem. Int. Ed., 55, 2022-2027 (2016). (PDF)

1044. Matthew N. Grayson and K. N. Houk: "Cinchona Alkaloid-Catalyzed Asymmetric Conjugate Additions: The Bifunctional Brønsted Acid-Hydrogen Bonding Model," J. Am. Chem. Soc., 138, 1170-1173 (2016). (PDF)

1045. Istvan Gabor Molnar, Mareike C. Holland, Constantin Daniliuc, K. N. Houk, and Ryan Gilmour: "Organocatalysis Intermediates as Platforms to Study Noncovalent Interactions: Integrating Fluorine Gauche Effects in Iminium Systems to Facilitate Acyclic Conformational Control," Synlett, 27, 1051-1055 (2016). (PDF)

1046. Yun-Fang Yang, Yong Liang, Fang Liu, and K. N. Houk: "Diels-Alder Reactivities of Benzene, Pyridine, and Di-, Tri-, and Tetrazines: The Roles of Geometrical Distortions and Orbital Interactions," J. Am. Chem. Soc., 138, 1660-1667 (2016). (PDF)

1047. Liana Hie, Noah F. Fine Nathel, Xin Hong, Yun-Fang Yang, Kendall N. Houk, and Neil K. Garg: "Nickel-Catalyzed Activation of Acyl C-O Bonds of Methyl Esters," Angew. Chem. Int. Ed., 55, 2810-2814 (2016). (PDF)

1048. Dionicio Martinez-Solorio, Bruno Melillo, Luis Sanchez, Yong Liang, Erwin Lam, K. N. Houk, and Amos B. Smith III: "Design, Synthesis, and Validation of an Effective, Reusable Silicon-Based Transfer Agent for Room-Temperature Pd-Catalyzed Cross-Coupling Reactions of Aryl and Heteroaryl Chlorides with Readily Available Aryl Lithium Reagents," J. Am. Chem. Soc., 138, 1836-1839 (2016). (PDF)

1049. Joyann S. Barber, Evan D. Styduhar, Hung V. Pham, Travis C. McMahon, K. N. Houk, and Neil K. Garg: "Nitrone Cycloadditions of 1,2-Cyclohexadiene," J. Am. Chem. Soc., 138, 2512-2515 (2016). (PDF)

1050. Ashay Patel, Zhuo Chen, Zhongyue Yang, Osvaldo Gutierrez, Hung-wen Liu, K. N. Houk, and Daniel A. Singleton: "Dynamically Complex [6+4] and [4+2] Cycloadditions in the Biosynthesis of Spinosyn A," J. Am. Chem. Soc., 138, 3631-3634 (2016). (PDF)

1051. Elsa Rodriguez, Matthew N. Grayson, Amparo Asensio, Pablo Barrio, K. N. Houk, and Santos Fustero: "Chiral Brønsted Acid-Catalyzed Asymmetric Allyl(propargyl)boration Reaction of ortho-Alkynyl Benzaldehydes: Synthetic Applications and Factors Governing the Enantioselectivity," ACS Catal., 6, 2506-2514 (2016). (PDF)

1052. Tristin E. Rose, Brice H. Curtin, Kenneth V. Lawson, Adam Simon, K. N. Houk, and Patrick G. Harran: "On the Prevalence of Bridged Macrocyclic Pyrroloindolines Formed in Regiodivergent Alkylations of Tryptophan," Chem. Sci., 7, 4158-4166 (2016). (PDF)

1053. Yu-hong Lam, Matthew N. Grayson, Mareike C. Holland, Adam Simon, and K. N. Houk: "Theory and Modeling of Asymmetric Catalytic Reactions," Acc. Chem. Res., 49, 750-762 (2016). (PDF)

1054. Hsiao-Ching Lin, Travis C. McMahon, Ashay Patel, Michael Corsello, Adam Simon, Wei Xu, Muxun Zhao, K. N. Houk, Neil K. Garg, and Yi Tang: "P450-Mediated Coupling of Indole Fragments to Forge Communesin and Unnatural Isomers," J. Am. Chem. Soc., 138, 4002-4005 (2016). (PDF)

1055. Zhongyue Yang, Peiyuan Yu, and K. N. Houk: "Molecular Dynanics of Dimethyldioxirane C-H Oxidation," J. Am. Chem. Soc., 138, 4237-4242 (2016). (PDF)

1056. Xing Jiang, Zachary J. O’Brien, Song Yang, Lan Huong Lai, Jeffrey Buenaflor, Colleen Tan, Saeed Khan, K. N. Houk, and Miguel A. Garcia-Garibay: "Crystal Fluidity Reflected by Fast Rotational Motion at the Core, Branches, and Peripheral Aromatic Groups of a Dendrimeric Molecular Rotor," J. Am. Chem. Soc., 138, 4650-4656 (2016). (PDF)

1057. Shu-Shan Gao, Abing Duan, Wei Xu, Peiyuan Yu, Leibniz Hang, K. N. Houk, and Yi Tang: "Phenalenone Polyketide Cyclization Catalyzed by Fungal Polyketide Synthase and Flavin-Dependent Monooxygenase," J. Am. Chem. Soc., 138, 4249-4259 (2016). (PDF)

1058. Jiyong Park, Joseph J. McDonald, Russell C. Petter, and K. N. Houk: "Molecular Dynamics Analysis of Binding of Kinase Inhibitors to WT EGFR and the T790M Mutant," J. Chem. Theory Comput., 12, 2066-2078 (2016). (PDF)

1059. Xiaoxun Li, Wangze Song, Xiaona Ke, Xiufang Xu, Peng Liu, K. N. Houk, Xian-liang Zhao, Weiping Tang: "Rhodium-Catalyzed Intramolecular [5+2] Cycloaddition of Inverted 3-Acyloxy-1,4-enyne and Alkyne: Experimental and Theoretical Studies," Chem. Eur. J., 22, 7079-7083 (2016). (PDF)

1060. Elizabeth L. Noey, Gonzalo Jimenez-Oses, Derrick J. L. Clive, and K. N. Houk: "Computations Reveal that Electron-Withdrawing Leaving Groups Facilitate Intramolecular Conjugate Displacement Reactions by Negative Hyperconjugation," J. Org. Chem., 81, 4290-4294 (2016). (PDF)

1061. Yun-Fang Yang, K. N. Houk, and Yun-Dong Wu: "Computational Exploration of RhIII/RHV and RhIII/RhI Catalysis in Rhodium(III)-Catalyzed C-H Activation Reactions of N-Phenoxyacetamides with Alkynes," J. Am. Chem. Soc., 138, 6861-6868 (2016). (PDF)

1062. Juneyoung Lee, Jessica M. Grandner, Keary M. Engle, K. N. Houk, and Robert H. Grubbs: "In Situ Catalyst Modification in Atom Transfer Radical Reactions with Ruthenium Benzylidine Complexes," J. Am. Chem. Soc., 138, 7171-7177 (2016). (PDF)

1063. Jessica M. Grandner, Ralph A. Cacho, Yi Tang, and K. N. Houk: "Mechanism of the P450-Catalyzed Oxidative Cyclization in the Biosynthesis of Griseofulvin," ACS Catal., 6, 4506-4511 (2016). (PDF)

1064. Peiyuan Yu, Zhongyue Yang, Yong Liang, Xin Hong, Yanwei Li, and K. N. Houk: "Distortion-Controlled Reactivity and Molecular Dynamics of Dehydro-Diels-Alder Reactions," J, Am. Chem. Soc., 138, 8247-8252 (2016). (PDF)

1065. Fengjiao Liu, Zhongyue Yang, Ye Mei, and K. N. Houk: "QM/MM’ Direct Molecular Dynamics of Water-Accelerated Diels-Alder Reaction," J. Phys. Chem. B, 120, 6250-6254 (2016). (PDF)

1066. Pierre Vogel, Yu-hong Lam, Adam Simon, and Kendall N. Houk: "Organocatalysis: Fundamentals and Comparisons to Medal and Enzyme Catalysis," Catalysts, 6, Article 128 (2016). (PDF)

1067. Pier Alexandre Champagne and K. N. Houk: "Origins of Selectivity and General Model for Chiral Phosphoric Acid-Catalyzed Oxetane Desymmetrizations," J. Am. Chem. Soc., 138, 12356-12359 (2016). (PDF)

1068. Bernice Lin, Peiyuan Yu, Cyndi Qixin He, K. N. Houk: "Origins of Regioselectivity in 1,3-dipolar Cycloadditions of Nitrile Oxides with Alkynylboronates," Biorg. Med. Chem., 24, 4787-4790 (2016). (PDF)

1069. Zhe Li, Thomas Bally, Kendall N. Houk, and Weston Thatcher Borden: "Variations in Rotational Barriers of Allyl and Benzyl Cations, Anions, and Radicals," J. Org. Chem., 81, 9576-9584 (2016). (PDF)

1070. Yingzi Li, Silvia Osuna, Marc Garcia-Borras, Xiaotian Qi, Song Liu, Kendall N. Houk, and Yu Lan: "Reactivity of Single-Walled Carbon Nanotubes in the Diels-Alder Cycloaddition Reaction: Distortion-Interaction Analysis Along the Reaction Pathway," Chem. Eur. J., 22, 12819-12824 (2016). (PDF)

1071. Matthew N. Grayson and K. N. Houk: "Cinchona Urea-Catalyzed Asymmetric Sulfa-Michael Reactions: The Bronsted Acid-Hydrogen Bonding Model," J. Am. Chem. Soc., 138, 9041-9044 (2016). (PDF)

1072. Marc Garcia-Borras, Akihito Konishi, Andreas Waterloo, Yong Liang, Yang Cao, Constantin Hetzer, Dan Lehnherr, Frank Hampel, Kendall N. Houk, and Rik R. Tywinski: "Tautomerization and Dimerization of 6,13-Disubstituted Derivatives of Pentacene," Chem. Eur. J., 23, 6111-6117 (2016). (PDF)

1073. Gang Chen, Wei Gong, Zhe Zhuang, Michal S. Andra, Yan-Qiao Chen, Xin Hong, Yun-Fang Yang, Tao Liu, K. N. Houk, and Jin-Quan Yu: "Ligand-Accelerated Enantioselective Methylene C(sp3)-H Bond Activation," Science, 353, 1023-1027 (2016). (PDF)

1074. Nico Santschi, Christian Thiehoff, Mareike C. Holland, Constantin G. Danilluc, K. N. Houk, and Ryan Gilmour: "The Sulfur-Flourine Gauche Effect in Coinage-Metal Complexes: Augmenting Conformational Equilibria by Complexation," Organometallics, 35, 3040-3044 (2016). (PDF)

1075. Robert C. Simon, Eduardo Busto, Nina Richter, Verena Resch, Kendall N. Houk, and Wolfgang Kroutil: "Biocatalytic Trifluoromethylation of Unprotected Phenols," Nat. Commun., 7, Article Number 13323 (2016). (PDF)

1076. Ilhan Yavuz, Steven A. Lopez, Janice B. Lin, and K. N. Houk: "Quantitative Prediction of Morphology and Electron Transport in Crystal and Disordered Organic Semiconductors," J. Mater. Chem. C, 4, 11238-11243 (2016). (PDF)

1077. Michael E. Jung, Daniel L. Sun, Timothy A. Dwight, Peiyuan Yu, Wei Li, and K. N. Houk: "Synthesis of 2-Ethenylcyclopropyl Aryl Ketones via Intramolecular SN2-like Displacement of an Ester," Org. Lett., 18, 5138-5141 (2016). (PDF)

1078. Xia Yu, Fang Liu, Yi Zou, Man-Cheng Tang, Leibniz Hang, K. N. Houk, and Yi Tang: "Biosynthesis of Strained Piperazine Alkaloids: Uncovering the Concise Pathway of Herquline A," J. Am. Chem. Soc., 138, 13529-13532 (2016). (PDF)

1079. Nima Zargari, Pierre Winter, Yong Liang, Joo Ho Lee, Andrew Cooksy, K. N. Houk, and Kyung Woon Jung: "Unexpected, Latent Radical Reaction of Methane Propagated by Trifluoromethyl Radicals," J. Org. Chem., 81, 9820-9825 (2016). (PDF)

1080. Shao-Xiong Luo, Jeffrey S. Cannon, Buck L. H. Taylor, Keary M. Engle, K. N. Houk, and Robert H. Grubbs: "Z-Selective Cross-Metathesis and Homodimerization of 3E-1,3-Dienes: Reaction Optimization, Computational Analysis, and Synthetic Applications," J. Am. Chem. Soc., 138, 14039-14046 (2016). (PDF)

1081. Adam Simon, Alexander J. Yeh, Yu-hong Lam, and K. N. Houk: "Origins of Stereoselectivity of Chiral Vicinal Diamine-Catalyzed Aldol Reactions," J. Org. Chem., 81, 12408-12415 (2016). (PDF)

1082. Li Li, Peiyuan Yu, Man-Cheng Tang, Yi Zou, Shu-Shan Gao, Yiu-Sun Hung, Muxun Zhao, Kenji Watanabe, K. N. Houk, and Yi Tang: "Biochemical Characterization of a Eukaryotic Decalin-Forming Diels-Alderase," J. Am. Chem. Soc., 138, 15837-15840 (2016). (PDF)

1083. Brian J. Levandowski and Kendall N. Houk: "Hyperconjugative, Secondary Orbital, Electrostatic, and Steric Effects on the Reactivities and Endo and Exo Stereoselectivities of Cyclopropene Diels-Alder Reactions," J. Am. Chem. Soc., 138, 16731-16736 (2016). (PDF)

1084. Xu Han, Jiyong Park, Wei Wu, Andres Malagon, Lingyu Wang, Edgar Vargas, Athula Wikramanayake, K. N. Houk, and Roger M. Leblanc: "A Resorcinarene for Inhibition of A-beta Fibrillation," Chem. Sci., 8, 2003-2009 (2017). (PDF)

1085. Ilhan Yavuz and K. N. Houk: "Mesoscale Ordering and Charge-Transport of Crystalline Spiro-OMeTAD Organic Semiconductors," J. Phys. Chem. C, 121, 993-999 (2016). (PDF)

1086. Jorge A. Gonzalez, O. Maduka Ogba, Gregory F. Morehouse, Nicholas Rosson, Kendall N. Houk, Andrew G. Leach, Paul H.-Y. Cheong, Martin D. Burke, and Guy C. Lloyd-Jones: "MIDA Boronates Are Hydrolysed Fast and Slow by Two Different Mechanisms," Nature Chem., 8, 1067-1075 (2016). (PDF)

1087. Elizabeth H. Krenske, Russell C. Petter, and K. N. Houk: "Kinetics and Thermodynamics of Reversible Thiol Additions to Mono- and Diactivated Michael Acceptors: Implications for the Design of Drugs That Bind Covalently to Cysteines," J. Org. Chem., 81, 11726-11733 (2016). (PDF)

1088. Benjamin P. Cherniawski, Steven A. Lopez, Edmund K. Burnett, Ilhan Yavuz, Lei Zhang, Sean R. Parkin, Kendall N. Houk, and Alejandro L. Briseno: "The Effect of Hexyl Side Chains on Molecular Conformations, Crystal Packing, and Charge Transport of Oligothiophenes," J. Mater. Chem. C, 5, 582-588 (2017). (PDF)

1089. Taoufik Ben Halima, Wanying Zhang, Imane Yalaoui, Xin Hong, Yun-Fang Yang, Kendall N. Houk, and Stephen G. Newman: "Palladium-Catalyzed Suzuki-Miyaura Coupling of Aryl Esters," J. Am. Chem. Soc., 139, 1311-1318 (2017). (PDF)

1090. Yi Zou, Marc Garcia-Borras, Mancheng C. Tang, Yuichiro Hirayama, Dehai H. Li, Li Li, Kenji Watanabe, K. N. Houk, and Yi Tang: "Enzyme-Catalyzed Cationic Epoxide Rearrangements in Quinolone Alkaloid Biosynthesis," Nature Chem. Biol., 13, 325-332 (2017). (PDF)

1091. Joel L. Mackey, Zhongyue Yang, and K. N. Houk: "Dynamically Concerted and Stepwise Trajectories of the Cope Rearrangement of 1,5-Hexadiene," Chem. Phys. Lett., 683, 253-257 (2017). (PDF)

1092. Nezar Al-Bataineh, K. N. Houk, Matthias Brewer, and Xin Hong: "(2+1)-Cycloaddition Reactions Give Further Evidence of the Nitrenium-like Character of 1-Aza-2-azoniaallene Salts," J. Org. Chem., 82, 4001-4005 (2017). (PDF)

1093. Jason S. Fell, Blanton N. Martin, and K. N. Houk: "Origins of the Unfavorable Activation and Reaction Energies of 1-Azadiene Heterocycles Compared to 2-Azadiene Heterocycles in Diels-Alder Reactions," J. Org. Chem., 82, 1912-1919 (2017). (PDF)

1094. Abing Duan, Peiyuan Yu, Fang Liu, Huang Qiu, Feng Long Gu, Michael P. Doyle, and K. N. Houk: "Diazo Esters as Dienophiles in Intramolecular (4 + 2) Cycloadditions: Computational Explorations of Mechanism," J. Am. Chem. Soc., 139, 2766-2770 (2017). (PDF)

1095. K. N. Houk and Fang Liu: "Holy Grails for Computational Organic Chemistry and Bichemistry," Acc. Chem. Res., 50, 539-543 (2017). (PDF)

1096. Anton A. Toutov, Mike Salata, Alexey Fedorov, Yun-Fang Yang, Yong Liang, Renen Cariou, Kerry N. Betz, Erik P. A. Couzijn, John W. Shabaker, Kendall N. Houk, and Robert H. Grubbs: "A Potassium tert-Butoxide and Hydrosilane System for Ultra-Deep Desulfurization of Fuels," Nature Energy, 2, Article Number 17008 (2017). (PDF)

1097. Shu-Shan Gao, Marc Garcia-Borras, Joyann S. Barber, Yang Hai, Abing Duan, Neil K. Garg, K. N. Houk, and Yi Tang: "Enzyme-Catalyzed Intramolecular Enantioselective Hydroalkoxylation," J. Am. Chem. Soc., 139, 3639-3642 (2017). (PDF)

1098. Byron A. Boon, Aaron G. Green, Peng Liu, K. N. Houk, and Craig A. Merlic: "Using Ring Strain to Control 4Ï€-Electrocyclization Reactions: Torquoselectivity in Ring Closing of Medium-Ring Dienes and ring Opening of Bicyclic Cyclobutenes," J. Org. Chem., 82, 4613-4624 (2017). (PDF)

1099. Wen-Bo Liu, David P. Schuman, Yun-Fang Yang, Anton A. Toutov, Yong Liang, Hendrik F. T. Klare, Nasri Nesnas, Martin Oestreich, Donna G. Blackmond, Scott C. Virgil, Shibdas Banerjee, Richard N. Zare, Robert H. Grubbs, K. N. Houk, and Brian M. Stoltz: "Potassium tert-Butoxide-Catalyzed Dehydrogenative C-H Silylation of Heteroaromatics: A Combined Experimental and Computational Mechanistic Study," J. Am. Chem. Soc., 139, 6867-6879 (2017). (PDF)

1100. Shibdas Banerjee, Yun-Fang Yang, Ian D. Jenkins, Yong Liang, Anton A. Toutov, Wen-Bo Liu, David P. Schuman, Robert H. Grubbs, Brian M. Stoltz, Elizabeth H. Krenske, Kendall N. Houk, and Richard N. Zare: "Ionic and Neutral Mechanisms for C-H Bond Silylation of Aromatic Heterocycles Catalyzed by Potassium tert-Butoxide," J. Am. Chem. Soc., 139, 6880-6887 (2017). (PDF)

1101. Yao Li, Cyndi Qixin He, Fei-Xiang Gao, Zhen Li, Xiao-Song Xue, Xin Li, K. N. Houk, and Jin-Pei Cheng: "Design and Applications of N-tert-Butyl Sulfinyl Squaramide Catalysts," Org. Lett., 19, 1926-1929 (2017). (PDF)

1102. Ilke Ugur, Sesil Agopcan Cinar, Burcu Dedeoglu, Viktorya Aviyente, M. Frederick Hawthorne, Peng Liu, Fang Liu, K. N. Houk, and Gonzalo Jimenez-Oses: "1,3-Dipolar Cycloaddition Reactions of Low-Valent Rhodium and Iridium Complexes with Arylnitrile N-Oxides," J. Org. Chem., 82, 5096-5101 (2017). (PDF)

1103. Elizabeth L. Noey, Zhongyue Yang, Yanwei Li, Hannah Yu, Rachel N. Richey, Jeremy M. Merritt, Douglas P. Kjell, and K. N. Houk: "Origins of Regioselectivity in the Fischer Indole Synthesis of a Selective Androgen Receptor Modulator," J. Org. Chem., 82, 5904-5909 (2017). Correction: J. Org. Chem., 82, 12945-12945 (2017). (PDF)

1104. Peiyuan Yu, Wei Li, and K. N. Houk: "Mechanisms and Origins of Selectivities of the Lewis Acid-Catalyzed Diels-Alder Reactions between Arylallenes and Acrylates," J. Org. Chem., 82, 6398-6402 (2017). (PDF)

1105. Matthew N. Grayson, Zhongyue Yang, and K. N. Houk: "Chronology of CH•••O Hydrogen Bonding from Molecular Dynamics Studies of the Phosphoric Acid-Catalyzed Allylboration of Benzaldehyde," J. Am. Chem. Soc., 139, 7717-7720 (2017). (PDF)

1106. Rafal M. Dziedzic, Joshua L. Martin, Jonathan C. Axtell, Liban M. A. Saleh, Ta-Chung Ong, Yun-Fang Yang, Marco S. Messina, Arnold L. Rheingold, K. N. Houk, and Alexander M. Spokoyny: "Cage-Walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane," J. Am. Chem. Soc., 139, 7729-7732 (2017). (PDF)

1107. Yingzi Li, Chunhui Shan, Yun-Fang Yang, Fuqiang Shi, Xiaotian Qi, K. N. Houk, and Yu Lan: "Mechanism, Regio-, and Diastereoselectivity of Rh(III)-Catalyzed Cyclization Reaction of N-Arylnitrones with Alkynes: A Density Functional Theory Study," J. Phys. Chem. A, 121, 4496-4504 (2017). (PDF)

1108. Yun-Fang Yang, Gang Chen, Xin Hong, Jin-Quan Yu, and K. N. Houk: "The Origins of Dramatic Differences in Five-Membered vs Six-Membered Chelation of Pd(II) on Efficiency of C(sp3)-H Bond Activation," J. Am. Chem. Soc., 139, 8514-8521 (2017). (PDF)

1109. Peiyuan Yu, Tiffany Q. Chen, Zhongyue Yang, Cyndi Qixin He, Ashay Patel, Yu-hong Lam, Ching-Yang Liu, and K. N. Houk: "Mechanism and Origins of Periselectivity of the Ambimodal [6+4] Cycloadditions of Tropone to Dimethylfulvene," J. Am. Chem. Soc., 139, 8251-8528 (2017). (PDF)

1110. Qi Liu, Yu Chen, Xiao Zhang, K. N. Houk, Yong Liang, and Amos B. Smith III: "Type II Anion Relay Chemistry: Conformatioal Constraints to Achieve Effective [1,5]-Vinyl Brook Rearrangements," J. Am. Chem. Soc., 139, 8710-8717 (2017). (PDF)

1111. Jiannan Zhao, Jonathan L. Brosmer, Qingxuan Tang, Zhongyue Yang, K. N. Houk, Paula L. Diaconescu, and Ohyun Kwon: "Intramolecular Crossed [2+2] Photocycloaddition through Visible Light-Induced Energy Transfer," J. Am. Chem. Soc., 139, 9807-9810 (2017). (PDF)

1112. Janice B. Lin, Tejas K. Shah, Adam E. Goetz, Neil K. Garg, and K. N. Houk: "Conjugated Trimeric Scaffolds Accessible from Indolyne Cyclotrimerizations: Synthesis, Structures, and Electronic Properties," J. Am. Chem. Soc., 139, 10447-10455 (2017). (PDF)

1113. Marco S. Messina, Jeong Hoon Ko, Zhongyue Yang, M. Jane Strouse, K. N. Houk, and Heather D. Maynard: "Effect of Trehalose Polymer Regioisomers on Protein Stabilization," Polymer Chemistry, 33, 4781-4788 (2017). (PDF)

1114. F. Matthias Bickelhaupt and Kendall N. Houk: "Analyzing Reaction Rates with the Distortion/Interaction-Activation Strain Model," Angew. Chem. Int. Ed., 56, 10070-10086 (2017). (PDF)

1115. Adam Simon, Yu-hong Lam, and K. N. Houk: "Origins of Stereoselectivity of Enamine-Iminium-Activated Nazarov Cyclozations by Vicinal Diamines," J. Org. Chem., 82, 8186-8190 (2017). (PDF)

1116. Lizhen Fang, Tyler G. Saint-Denis, Buck L. H. Taylor, Seth Ahlquist, Kai Hong, SaiSai Liu, LiLi Han, K. N. Houk, and Jin-Quan Yu: "Experimental and Computational Development of a Conformationally Flexible Template for the meta-C-H Functionalization of Benzoic Acid," J. Am. Chem. Soc., 139, 10702-10714 (2017). (PDF)

1117. Brian J. Levandowski, Trevor A. Hamlin, F. Matthias Bickelhaupt, and K. N. Houk: "Role of Orbital Interactions and Activation Strain (Distortion Energies) on Reactivities in the Normal and Inverse Electron-Demand Cycloadditions of Strained and Unstrained Cycloalkenes," J. Org. Chem., 82, 8668-8675 (2017). (PDF)

1118. Cyndi Qixin He, Adam Simon, Yu-hong Lam, Andrew P. J. Brunskill, Nobuyoshi Yasuda, Jiajing Tan, Alan M. Hyde, Edward C. Sherer, and K. N. Houk: "Model for the Enantioselectivity of Asymmetric Intramolecular Alkylations by Bis-Quaternized Cinchona Alkaloid-Derived Catalysts," J. Org. Chem., 82, 8654-8650 (2017). (PDF)

1119. Chen-Chen Zhou, M. Frederick Hawthorne, K. N. Houk, and Gonzalo Jimenez-Oses: "Multiple Mechanisms for the Thermal Decomposition of Metallaisoxazolin-5-ones from Computational Investigations," J. Org. Chem., 82, 8438-8443 (2017). (PDF)

1120. Yao Li, Guo-Hui Yang, Cyndi Qixin He, Xin Li, K. N. Houk, and Jin-Pei Cheng: "Chirality Sensing of a-Hydroxyphosphonates by N-tert-Butyl Sulfinyl Squaramide," Org. Lett., 19, 4191-4194 (2017). (PDF)

1121. Amy E. Fraley, Marc Garcia-Borras, Ashootosh Tripathi, Dheeraj Khare, Eduardo V. Mercado-Marin, Hong Tran, Qingyun Dan, Gabrielle P. Webb, Katherine R. Watts, Phillip Crews, Richmond Sarpong, Robert M. Williams, Janet L. Smith, K. N. Houk, and David H. Sherman: "Function and Structure of MalA/MalA’, Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids," J. Am. Chem. Soc., 139, 12060-12068 (2017). (PDF)

1122. Jiyong Park, Sunny Chun, Thomas A. Bobik, Kendall N. Houk, and Todd O. Yeates: "Molecular Dynamics Simulations of Selective Metabolite Transport across the Propanediol Bacterial Microcompartment Shell," J. Phys. Chem. B, 121, 8149-8154 (2017). (PDF)

1123. Jason S. Fell, Steven A. Lopez, Cody J. Higginson, M. G. Finn, and K. N. Houk: "Theoretical Analysis of the Retro-Diels-Alder Reactivity of Oxanorbornadiene Thiol and Amine Adducts," Org. Lett., 19, 4504-4507 (2017). (PDF)

1124. Fang Liu, Yong Liang, and K. N. Houk: "Bioorthogonal Cycloadditions: Computational Analysis with the Distortion/Interaction Model and Prediction of Reactivities," Acc. Chem. Res., 50, 2297-2308 (2017). (PDF)

1125. Yuan Gao, K. N. Houk, Chun-Yu Ho, and Xin Hong: "The Mechanism and Regioselectivities of (NHC)nickel(II)hydride-catalyzed Cycloisomerization of Dienes: A Computational Study," Org. Biomol. Chem., 15, 7131-7139 (2017). (PDF)

1126. Isaac Chogli, Pradipta Das, Jason S. Fell, Kevin A. Scott, Mark N. Crawford, K. N. Houk, and Jon T. Njardarson: "New Class of Anion-Accelerated Amino-Cope Rearrangements as Gateway to Diverse Chiral Structures," J. Am. Chem. Soc., 139, 13141-13146 (2017). Correction: J. Am. Chem. Soc., 140, 9314-9314 (2018). (PDF)

1127. Shuo-Qing Zhang, Buck L. H. Taylor, Chong-Lei Ji, Yuan Gao, Michael R. Harris, Luke E. Hanna, Elizabeth R. Jarvo, K. N. Houk, and Xin Hong: "Mechanism and Origins of Ligand-Controlled Stereoselectivity of Ni-Catalyzed Suzuki-Miyaura Coupling with Benzylic Esters: A Computational Study," J. Am. Chem. Soc., 139, 12994-13005 (2017). (PDF)

1128. Katharina Marie Wenz, Peng Liu, and K. N. Houk: "Intramolecular C-H Activation Reactions of Ru(NHC) Complexes Combined with H2 Transfer to Alkenes: A Theoretical Elucidation of Mechanisms and Effects of Ligands on Reactivities," Organometallics, 36, 3613-3623 (2017). (PDF)

1129. Aaron A. Koch, Douglas A. Hansen, Vikram V. Shende, Lawrence R. Furan, K. N. Houk, Gonzalo Jimenez-Oses, and David H. Sherman: "A Single Active Site Mutation in the Pikromycin Thioesterase Generates a More Effective Macrocyclization Catalyst," J. Am. Chem. Soc., 139, 13456-13465 (2017). (PDF)

1130. Masao Ohashi, Fang Liu, Yang Hai, Mengbin Chen, Man-cheng Tang, Zhongyue Yang, Michio Sato, Kenji Watanabe, K. N. Houk, and Yi Tang: "SAM-dependent Enzyme-Catalysed Pericyclic Reactions in Natural Product Biosynthesis," Nature, 549, 502-506 (2017). (PDF)

1131. Rajat Maj, Pier Alexandre Champagne, K. N. Houk, and Steven E. Wheeler: "Activation Mode and Origin of Selectivity in Chiral Phosphoric Acid-Catalyzed Oxacycle Formation by Intramolecular Oxetane Desymmetrizations," ACS Catal., 7, 7332-7339 (2017). (PDF)

1132. Jessica M. Grandner, Huiling Shao, Robert H. Grubbs, Peng Liu, and K. N. Houk: "Origins of the Stereoretentive Mechanism of Olefin Metathesis with Ru-Dithiolate Catalysts," J. Org. Chem., 82, 10595-10600 (2017). (PDF)

1133. Maruthi Kumar Narayanam, Gaoyuan Ma, Pier Alexandre Champagne, Kendall N. Houk, and Jennifer M. Murphy: "Synthesis of [18F]Fluoroarenes by Nucleophilic Radiofluorination of N-Arylsydnones," Angew. Chem. Int. Ed., 56, 13006-13010 (2017). (PDF)

1134. Pier Alexandre Champagne and K. N. Houk: "Influence of Endo- and Exocyclic Heteroatoms on Stabilities and 1,3-Dipolar Cycloadditions Reactivities of Mesoionic Azomethine Ylides and Imines," J. Org. Chem., 82, 10980-10988 (2017). (PDF)

1135. Cyndi Qixin He, Peiyuan Yu, Yu-hong Lam, and K. N. Houk: "Origins of Stereoselectivity in Chiral Aminoalcohol Catalysis of Oxyallyl Cation-Indole Reactions," Org. Lett., 19, 5685-5688 (2017). (PDF)

1136. Patrick Montgomery, Jessica M. Grandner, K. N. Houk, and Robert H. Grubbs: "Synthesis and Evalution of Sterically Demanding Ruthenium Dithiolate Catalysts for Stereoretentive Olefin Metathesis," Organometallics, 36, 3940-3953 (2017). (PDF)

1137. Bryan J. Simmons, Marie Hoffmann, Pier Alexandre Champagne, Elias Picao, Katsuya Yamakawa, Lucas A. Morrill, K. N. Houk, and Neil K. Garg: "Understanding and Interrupting the Fischer Azaindolization Reaction," J. Am. Chem. Soc., 139, 14833-14836 (2017). (PDF)

1138. Janice B. Lin, Yu Jin, Steven A. Lopez, Nathaniel Druckerman, Steven E. Wheeler, and K. N. Houk: "Torsional Barriers to Rotation and Planarization in Heterocyclic Oligomers of Value in Organic Electronics," J. Chem. Theory Comput., 13, 5624-5638 (2017). (PDF)

1139. Robert S. Jordan, Yolanda L. Li, Cheng-Wei Lin, Ryan D. McCurdy, Janice B. Lin, Jonathan L. Brosmer, Kristofer L. Marsh, Saeed L. Khan, K. N. Houk, Richard B. Kaner, and Yves Rubin: "Synthesis of N = 8 Armchair Graphene Nanoribbons from Four Distinct Polydiacetylenes," J. Am. Chem. Soc., 139, 15878-15890 (2017). (PDF)

1140. Chao Zhou, Juan Liang, Shangli Cheng, Ting Shi, K. N. Houk, Dong-Qing Wei, and Yi-Lei Zhao: "Ab initio Molecular Metadynamics Simulation for S-nitroxylation by Nitric Oxide: S-nitroxide as they Key Intermediate," Molecular Simulation, 43, 1134-1141 (2017). (PDF)

1141. Marc Garcia-Borras, Kendall N. Houk, and Gonzalo Jimenez-Oses: "Computational Design of Protein Function," in Computational Tools for Chemical Biology, Chemical Biology No. 3, 87-107, Sonsoles Martin-Santamaria, ed., Royal Society of Chemistry: London, UK (2018). (PDF)

1142. Yun-Fang Yang, Xin Hong, Jin-Quan Yu, and K. N. Houk: "Experimental-Computational Synergy for Selective Pd(II)-Catalyzed C-H Activation of Aryl and Alkyl Groups," Acc. Chem. Res., 50, 2853-2860 (2017). (PDF)

1143. Fengjiao Liu, Zhongyue Yang, Yanmin Yu, Ye Mei, and K. N. Houk: "Bimodal Evans-Polanyi Relationships in Dioxirane Oxidations of sp3 C-H: Non-Perfect Synchronization in Generation of Delocalized Radical Intermediates," J. Am. Chem. Soc., 139, 16650-16656 (2017). (PDF)

1144. Stefanie A. Baril, Amber L. Koenig, Mackenzie W. Krone, Katherine I. Albanese, Cyndi Qixin He, Ga Young Lee, Kendall N. Houk, Marcey L. Waters, and Eric M. Brustad: "Investigation of Trimethyllysine Binding by the HP1 Chromodomain via Unnatural Amino Acid Mutagenesis," J. Am. Chem. Soc., 139, 17253-17256 (2017). (PDF)

1145. Shuming Chen, Xiaoqiang Huang, Eric Meggers, and K. N. Houk: "Origins of Enantioselectivity in Asymmetric Radical Additions to Octahedral Chiral-at-Rhodium Enolates: A Computational Study," J. Am. Chem. Soc., 139, 17902-17907 (2017). (PDF)

1146. Yun-Fang Yang, Peiyuan Yu, and K. N. Houk: "Computational Exploration of Concerted and Zwitterionic Mechanisms of Diels-Alder Reactions between 1,2,3-Triazines and Enamines and Acceleration by Hydrogen-Bonding Solvents," J. Am. Chem. Soc., 139, 18213-18221 (2017). (PDF)

1147. Cortnie S. Vogelsberg, Fernando J. Uribe-Romo, Andrew S. Lipton, Song Yang, K. N. Houk, Stuart Brown, and Miguel A. Garcia-Garibay: "Ultrafast Rotation in an Amphidynamic Crystalline Metal Organic Framework," Proc. Natl. Acad. Sci. USA, 114, 13613-13618 (2017). (PDF)

1148. Michael M. Gilbert, Matthew D. DeMars, Song Yang, Jessica M. Grandner, Shoulei Wang, Hengbin Wang, Alison R. H. Narayan, David H. Sherman, K. N. Houk, and John Montgomery: "Synthesis of Diverse 11- and 12-Membered Macrolactones from a Common Linear Substrate Using a Single Biocatalyst," ACS Cent. Sci., 3, 1304-1310 (2017). (PDF)

1149. David E. Hill, Katherine L. Bay, Yun-Fang Yang, R. Erik Plata, Ryosuke Takise, K. N. Houk, Jin-Quan Yi, and Donna G. Blackmond: "Dynamic Ligand Exchange as a Mechanistic Probe in Pd-Catalyzed Enantioselective C-H Functionalization Reactions Using Monoprotected Amino Acid Ligands," J. Am Chem. Soc., 139, 18500-18503 (2017). (PDF)

1150. Nicolas Kerisit, Przemyslaw Gawel, Brian Levandowski, Yun-Fang Yang, Victor Garcia-Lopez, Nils Trapp, Laurent Ruhlmann, Corinne Boudon, Kendall N. Houk, and Francois Diederich: "A Four-Step Synthesis of Substituted 5,11-Dicyano-6,12-diaryltetracenes with Enhanced Stability and High Fluorescence Emission," Chem. Eur. J., 24, 159-168 (2018). (PDF)

1151. Kui Zhang, Lingchao Cai. Zhongyou Yang, K. N. Houk, and Ohyun Kwon: "Bridged [2.2.1] Bicyclic Phosphine Oxide Facilitates Catalytic gamma-Umpolung Addition-Wittig Olefination," Chem. Sci., 9, 1867-1872 (2018). (PDF)

1152. Brian J. Levandowski, Dinushka Herath, Nathan M. Gallup, and K. N. Houk: "Origin of pi-Facial Stereoselectivity in Thiophene 1-Oxide Cycloadditions," J. Org. Chem., 83, 2611-2616 (2018). (PDF)

1153. Zhongyue Yang, Xiaofei Dong, Yanmin Yu, Peiyuan Yu, Yingzi Li, Cooper Jamieson, and K. N. Houk: "Relationships between Product Ratios in Ambimodal Pericyclic Reactions and Bond Lengths in Transition Structures," J. Am. Chem. Soc., 140, 3061-3067 (2018). (PDF)

1154. Zhongyue Yang, Song Yang, Peiyuan Yu, Yanwei Li, Charles Doubleday, Jiyong Park, Ashay Patel, Byung-sun Jeon, William K. Russell, Hung-wen Liu, David H. Russell, and K. N. Houk: "Influence of Water and Enzyme SpnF on the Dynamics and Energetics of the Ambimodal [6+4]/[4+2] Cycloaddition," Proc. Natl. Acad. Sci. USA, 115, E848-855 (2018). (PDF)

1155. Jianxin Guan, Chuancheng Jia, Yanwei Li, Zitong Liu, Jinying Wang, Zhongyue Yang, Chunhui Gu, Dingkai Su, Kendall N. Houk, Deqing Zhang, and Xuefeng Guo: "Direct Single-Molecule Dynamic Detection of Chemical Reactions," Sci. Adv., 4, eaar2177 (2018). (PDF)

1156. Zhongyue Yang and K. N. Houk: "The Dynamics of Chemical Reactions: Atomistic Visualizations of Organic Reactions, and Homage to van ‘t Hoff," Chem. Eur. J., 24, 3916-3924 (2018). (PDF)

1157. Brian J. Levandowski, Trevor A. Hamlin, Roger C. Helgeson, F. Matthias Bickelhaupt, and K. N. Houk: "Origins of the Endo and Exo Selectivities in Cyclopropenone, Iminocyclopropene, and Triafulvene Diels-Alder Cycloadditions," J. Org. Chem., 83, 3164-3170 (2018). (PDF)

1158. Shuming Chen and K. N. Houk: "Origins of Stereoselectivity in Mannich Reactions Catalyzed by Chiral Vicinal Diamines," J. Org. Chem., 83, 3171-3176 (2018). (PDF)

1159. Sean A. Newminster, Shasha Li, Marc Garcia-Borras, Jacob N. Sanders, Song Yang, Andrew N. Lowell, Fengan Yu, Janet L. Smith, Robert M. Williams, K. N. Houk, and David H. Sherman: "Structural Basis of the Cope Rearrangement and Cyclization in Hapalindole Biogenesis," Nature Chem. Biol., 14, 345-351 (2018). (PDF)

1160. Jack T. Ly, Steven A. Lopez, Janice B. Lin, Jae Joon Kim, Hyunbok Lee, Edmund K. Burnett, Lei Zhang, Alan Aspuru-Guzik, K. N. Houk, and Alejandro L. Briseno: "Oxidation of Rubrene, and Implications for Device Stability," J. Mat. Chem. C, 6, 3757-3761 (2018). (PDF)

1161. Morgan M. Walker, Shuming Chen, Brandon Q. Mercado, K. N. Houk, and Jonathan A. Ellman: "Formation of Aminocyclopentadienes from Silyldihydropyridines: Ring Contraditions Driven by Anion Stabilization," Angew. Chem. Int. Ed., 57, 6605-6609 (2018). (PDF)

1162. Shermin S. Goh, Pier Alexandre Champagne, Sureshbabu Guduguntla, Takashi Kikuchi, Makoto Fujita, K. N. Houk, and Ben L. Feringa: "Stereospecific Ring Contraction of Bromocycloheptenes through Dyotropic Rearrangements via Nonclassical Carbocation-Anion Pairs," J. Am. Chem. Soc., 140, 4986-4990 (2018). (PDF)

1163. Shuming Chen, Yu Zheng, Tianjiao Cui, Eric Meggers, and K. N. Houk: "Arylketone pi-Conjugation Controls Enantioselectivity in Asymmetric Alkynylations Catalyzed by Centrochiral Ruthenium Complexes," J. Am. Chem. Soc., 140, 5146-5152 (2018). (PDF)

1164. Xiaoming Wang, Yingzi Li, Tobias Knecht, Constantin Daniliuc, K. N. Houk, and Frank Glorius: "Unprecedented Dearomatized Spirocyclopropane in a Sequential Rhodium(III)-Catalyzed C-H Activation and Rearrangement Reaction," Angew. Chem. Int. Ed., 57, 5520-5524 (2018). (PDF)

1165. Raspudin Saleem-Batcha, Frederick Stull, Jacob N. Sanders, Bradley S. Moore, Bruce A. Palfrey, K. N. Houk, and Robin Teufel: "Enzymatic Control of Dioxygen Binding and Functionalization of the Flavin Cofactor," Proc. Natl. Acad. Sci. USA, 115, 4909-4914 (2018). (PDF)

1166. Huimin Tao, Fang Liu, Ruxin Zeng, Zhuzhou Shao, Lufeng Zou, Yang Cao, Jennifer M. Murphy, K. N. Houk, and Yong Liang: "Origins of Halogen Effects in Bioorthogonal Sydnone Cycloadditions," Chem. Commun., 54, 5082-5085 (2018). (PDF)

1167. Katie Scholl, John Dillashaw, Evan Timpy, Yu-hong Lam, Lindsey DeRatt, Tyler R. Benton, Jacqueline P. Powell, K. N. Houk, and Jeremy B. Morgan: "Quinine-Promoted, Enantioselective Boron-Tethered Diels-Alder Reaction by Anomeric Control of Transition-State Conformation," J. Org. Chem., 83, 5756-5765 (2018). (PDF)

1168. Katherine L. Bay, Yun-Fang Yang, and K. N. Houk: "Multiple Roles of Silver Salts in Palladium-Catalyzed C-H Activations," J. Organomet. Chem., 864, 19-25 (2018). (PDF)

1169. Maruthi Kumar Narayanam, Gaoyuan Ma, Pier Alexandre Champagne, Kendall N. Houk, and Jennifer M. Murphy: "Nucleophilic 18F-Fluorination of Anilines via N-Arylsydnone Intermediates," Synlett, 29, 1131-1135 (2018). (PDF)

1170. Shao-Xiong Luo, Keary M. Engle, Xiaofei Dong, Andrew Hejl, Michael K. Takase, Lawrence M. Henling, Peng Liu, K. N. Houk, and Robert H. Grubbs: "An Initiation Kinetics Prediction Model Enables Rational Design of Ruthenium Olefin Metathesis Catalysts Bearing Modified Chelating Benzylidenes," ACS Catal., 8, 4600-4611 (2018). (PDF)

1171. Brian J. Levandowski, Raymond F. Gamache, Jennifer M. Murphy, and K. N. Houk: "Readily Accessible Ambiphilic Cyclopentadienes for Bioorthogonal Labeling," J. Am. Chem. Soc., 140, 6426-6431 (2018). (PDF)

1172. Baba Maiga-Wandiam, Andrei Corbu, Georges Massiot, Francois Sautel, Peiyuan Yu, Bernice Wan-Yi Lin, Kendall N. Houk, and Janine Cossy: "Intramolecular Diels-Alder Approaches to the Decalin Core of Verongidolide: The Origin of the exo-Selectivity, a DFT Analysis," J. Org. Chem., 83, 5975-5985 (2018). (PDF)

1173. Shu-Shan Gao, Tao Zhang, Marc Garcia-Borras, Yiu-Sun Hung, John M. Billingsley, K. N. Houk, Youcai Hu, and Yi Tang: "Biosynthesis of Heptacyclic Duclauxins Requires Extensive Redox Modifications of the Phenalenone Aromatic Polyketide," J. Am. Chem. Soc., 140, 6991-6997 (2018). (PDF)

1174. Liao-Bin Dong, Jeffrey D. Rudolf, Dingding Kang, Nan Wang, Cyndi Qixin He, Youchao Deng, Yong Huang, K. N. Houk, Yanwen Duan, and Ben Shen: "Biosynthesis of Thiocarboxylic Acid-Containing Natural Products," Nature Comm., 9, Article Number 2362 (2018). (PDF)

1175. Elias Picazo, Sarah M. Anthony, Maude Giroud, Adam Simon, Margeaux A. Miller, K. N. Houk, and Neil K. Garg: "Arynes and Cyclic Alkynes as Synthetic Building Blocks for Stereodefined Quaternary Centers," J. Am. Chem. Soc., 140, 7605-7610 (2018). (PDF)

1176. Sam J. B. Mallinson, Melodie M. Machovina, Rodrigo L. Silveira, Marc Garcia-Borras, Nathan Gallup, Christopher W. Johnson, Mark D. Allen, Munir S. Skaf, Michael F. Crowley, Ellen L. Neidle, Kendall N. Houk, Gregg T. Beckham, Jennifer L. DuBois, and John E. McGeehan: "A Promiscuous Cytochrome P450 Aromatic O-demethylase for Lignin Bioconversion," Nature Comm., 9, Article Number 2487 (2018). (PDF)

1177. Zhongyue Yang, Luyi Zou, Yanmin Yu, Fengjiao Liu, Xiaofei Dong, and K. N. Houk: "Molecular Dynamics of the Two-Stage Mechanism of Cyclopentadiene Dimerization: Concerted or Stepwise?," Chem. Phys., 120-125 (2018). (PDF)

1178. Joyann S. Barber, Michael M. Yamano, Melissa Ramirez, Evan R. Darzi, Rachel R. Knapp, Fang Liu, K. N. Houk, and Neil K. Garg: "Diels-Alder Cycloadditions of Strained Azacyclic Allenes," Nature Chem., 10, 953-960 (2018). (PDF)

1179. Russell D. Lewis, Marc Garcia-Borras, Matthew J. Chalkley, Andrew R. Buller, K. N. Houk, S. B. Jennifer Kan, and Frances H. Arnold: "Catalytic Iron-Carbene Intermediate Revealed in a Cytochrome c Carbene Transferase," Proc. Natl. Acad. Sci. USA, 115, 7308-7313 (2018). (PDF)

1180. Shenji Kishimoto, Kodai Hara, Hiroshi Hashimoto, Yuichiro Hirayama, Pier Alexandre Champagne, Kendall N. Houk, Yi Tang, and Kenji Watanabe: "Enzymatic One-Step Ring Contraction for Quinolone Biosynthesis," Nature Comm., 9, Article Number 2826 (2018). (PDF)

1181. Tonia S. Ahmed, Jessica M. Grandner, Buck L. H. Taylor, Myles B. Herbert, K. N. Houk, and Robert H. Grubbs: "Metathesis and Decomposition of Fischer Carbenes of Cyclometalated Z-Selective Ruthenium Metathesis Catalysts," Organometallics, 37, 2212-2216 (2018). (PDF)

1182. Stasik Popov, Brian Shao, Alex L. Bagdasarian, Tyler R. Benton, Luyi Zou, Zhongyue Yang, K. N. Houk, and Hosea M. Nelson: "Teaching an Old Carbocation New Tricks: Intermolecular C-H Insertion Reactions of Vinyl Cations," Science, 361, 381-387 (2018). (PDF)

1183. Kendall N. Houk and Fang Liu: "John D. Roberts, his Beginnings at UCLA, his Transformation of Physical Organic Chemistry, and his Impact on Science," J. Phys. Org. Chem., 31, e3810 (2018). (PDF)

1184. K. N. Houk, Marjorie C. Caserio, George M. Whitesides, David I. Schuster, Peter B. Dervan, and Dennis A. Dougherty: "J. D. Roberts Special Issue," J. Phys. Org. Chem., 31, e3886 (2018). (PDF)

1185. Guangyue Li, Marc Garcia-Borras, Maximilian J. L. J. Furst, Adriana Ilie, Marco W. Fraaje, K. N. Houk, and Manfred T. Reetz: "Overriding Traditional Electronic Effects in Biocatalytic Baeyer-Villiger Reactions by Directed Evolution," J. Am. Chem. Soc., 140, 10464-10472 (2018). (PDF)

1186. Jian Zhang, Peiyuan Yu, Shao-Yu Li, He Sun, Shao-Hua Xiang, Jun (Joelle) Wang, Kendall N. Houk, and Bin Tan: "Asymmetric Phosphoric Acid-Catalyzed Four-Component Ugi Reaction," Science, 361, eaas8707 (2018). (PDF)

1187. Kuangbiao Liao, Yun-Fang Yang, Yingzi Li, Jacob N. Sanders, K. N. Houk, Djamaladdin G. Musaev, and Huw M. L. Davies: "Design of Catalysts for Site-Selective and Enantioselective Functionalization of Non-Activated Primary C-H Bonds," Nature Chem., 10, 1048-1055 (2018). (PDF)

1188. Xiao-Song Xue, Brian J. Levandowski, Cyndi Qixin He, and K. N. Houk: "Origins of Selectivities in the Stork-Diels-Alder Cycloaddition for the Synthesis of (±)-4-Methylenegermine," Org. Lett., 20, 6108-6111 (2018). (PDF)

1189. Brandon E. Haines, Brandon M. Nelson, Jessica M. Grandner, Justin Kim, K. N. Houk, Mohammad Movassaghi, and Djamaladdin G. Musaev: "Mechanism of Permanganate-Promoted Dihydroxylation of Complex Diketopiperazines: Critical Roles of Counter-cation and Ion-Pairing," J. Am. Chem. Soc., 140, 13375-13386 (2018). (PDF)

1190. Peiyuan Yu, Cyndi Qixin He, Adam Simon, Wei Li, Rasmus Mose, Mathias Kirk Thogersen, Karl Anker Jorgensen, and K. N. Houk: "Organocatalytic [6+4] Cycloadditions via Zwitterionic Intermediates: Chemo-, Regio-, and Stereoselectivities," J. Am. Chem. Soc., 140, 13726-13735 (2018). (PDF)

1191. Sung-Eun Suh, Shuming Chen, K. N. Houk, and David M. Chenoweth: "The Mechanism of the Triple Aryne-Tetrazine Reaction Cascade: Theory and Experiment," Chem. Sci., 9, 7688-7693 (2018). (PDF)

1192. Biying Zhou, Moriana K. Haj, Eric N. Jacobsen, K. N. Houk, and Xiao-Song Xue: "Mechanism and Origins of Chemo- and Stereoselectivities of Aryl Iodide-Catalyzed Asymmetric Difluoronations of beta-Substituted Styrenes," J. Am. Chem. Soc., 140, 15206-15218 (2018). (PDF)

1193. Sarah K. Scott, Jacob N. Sanders, Katherine E. White, Roland A. Yu, K. N. Houk, and Alexander J. Grenning: "Controlling, Understanding, and Redirecting the Thermal Rearrangement of 3,3-Dicyano-1,5-enynes," J. Am. Chem. Soc., 140, 16134-16139 (2018). (PDF)

1194. Brian J. Levandowski, Lufeng Zou, and K. N. Houk: "Hyperconjugative Aromaticity and Antiaromaticity Control the Reactivities and π-Facial Stereoselectivities of 5-Substituted Cyclopentadiene Diels-Alder Cycloadditions," J. Org. Chem., 83, 14658-14666 (2018). (PDF)

1195. Katherine L. Bay, Yun-Fang Yang, and K. N. Houk: "Computational Exploration of a Pd(II) gamma-C-H Arylation Where Stereoselectivity Arises from Attractive Aryl-Aryl Interactions," J. Org. Chem., 83, 14786-14790 (2018). (PDF)

1196. Ehsan Fereyduni, Jacob N. Sanders, Gabriel Gonzalez, K. N. Houk, and Alexander J. Grenning: "Transient [3,3] Cope Rearrangement of 3,3-Dicyano-1,5-Dienes: Computational Analysis and 2-Step Synthesis of Arylcycloheptanes," Chem. Sci., 9, 8760-8764 (2018). (PDF)

1197. Di Wang, Xiao-Song Xue, Kendall N. Houk, and Zhuangzhi Shi: "Mild Ring-Opening 1,3-Hydroborations of Non-Activated Cyclopropanes," Angew. Chem. Int. Ed., 57, 16861-16865 (2018). (PDF)

1198. Shuming Chen, Peiyuan Yu, and K. N. Houk: "Ambimodal Dipolar/Diels-Alder Cycloaddition Transition States Involving Proton Transfers," J. Am. Chem. Soc., 140, 18124-18131 (2018). (PDF)

1199. Zhuzhou Shao, Wei Liu, Huimin Tao, Fang Liu, Ruxin Zeng, Pier Alexandre Champagne, Yang Cao, K. N. Houk, and Yong Liang: "Bioorthogonal Release of Sulfonamides and Mutually Orthogonal Liberation of Two Drugs," Chem. Comm., 54, 14089-14092 (2018). (PDF)

1200. Shuming Chen, Amy Y. Chan, Morgan M. Walker, Jonathan A. Ellman, and K. N. Houk: "Ï€-Facial Selectivities in Hydride Reductions of Hindered Endocyclic Iminium Ions," J. Org. Chem., 84, 273-281 (2019). (PDF)

1201. Kersti Caddell Haatveit, Marc Garcia-Borras, and Kendall N. Houk: "Computational Protocol to Understand P450 Mechanisms and Design of Efficient and Selective Biocatalysts," Frontiers in Chemistry, 6, Article Number 663 (2019). (PDF)

1202. Ilhan Yavuz, Janice B. Lin, and K. N. Houk: "Impact of Morphology, Side-Chains, and Crystallinity on Charge-Transport Properties of π-Extended Double Helicenes," Chem. Phys. Phys. Chem., 21, 901-914 (2019). (PDF)

1203. Brian J. Levandowski, Trevor A. Hamlin, Hannah J. Eckvahl, F. Matthias Bickelhaupt, and K. N. Houk: "Diels-Alder Reactivities of Cycloalkenediones with Tetrazine," J. Mol. Model., 25, Article Number 33 (2019). (PDF)

1204. Janice B. Lin, Evan R. Darzi, Ramesh Jasti, Ilhan Yavuz, and K. N. Houk: "Solid-State Order and Charge Mobility in [5]- to [12]Cycloparaphenylenes," J. Am. Chem. Soc., 141, 952-960 (2019). (PDF)

1205. Dan Tan, Cooper S. Jamieson, Masao Ohashi, Man-Cheng Tang, K. N. Houk, and Yi Tang: "Genome-Mined Diels-Alderase Catalyzes Formation of the cis-Octahydrodecalins on Varicidin A and B," J. Am. Chem. Soc., 141, 769-773 (2019). (PDF)

1206. Zijun Zhou, Shuming Chen, Jie Qin, Xin Nie, Xingwen Zhang, Klaus Harms, Radostan Riedel, K. N. Houk, and Eric Meggers: "Catalytic Enantioselective Intramolecular C(sp3)-H Amination of 2-Azidoacetamides," Angew. Chem. Int. Ed., 58, 1088-1093 (2019). (PDF)

1207. Xiao-Song Xue, Cooper S. Jamieson, Marc Garcia-Borras, Xiaofei Dong, Zhongyue Yang, and K. N. Houk: "Ambimodal Trispericyclic Transition State and Dynamic Control of Periselectivity," J. Am. Chem. Soc., 141, 1217-1221 (2019). (PDF)

1208. Expedite Yen-Pon, Pier Alexandre Champagne, Lucie Plougaste, Sandra Gabillet, Pierre Thuery, Mizuki Johnson, Gilles Muller, Gregory Pieters, Frederic Taran, K. N. Houk, and Davide Audisio: "Sydnone-Based Approach to Heterohelicenes through 1,3-Dipolar-Cycloadditions," J. Am. Chem. Soc., 141, 1435-1440 (2019). (PDF)

1209. Brian J. Levandowski, Dennis Svatunek, Barbara Sohr, Hannes Mikula, and K. N. Houk: "Secondary Orbital Interactions Enhance the Reactivity of Alkynes in Diels-Alder Cycloadditions," J. Am. Chem. Soc., 141, 2224-2227 (2019). Correction: J. Am. Chem. Soc., 141, 18641-18641 (2019). (PDF)

1210. Maggie Chen, Cyndi Qixin He, and K. N. Houk: "Mechanism and Regioselectivity of an Unsymmetrical Hexadehydro-Diels-Alder (HDDA) Reaction," J. Org. Chem., 84, 1959-1963 (2019). (PDF)

1211. Giulio Bertuzzi, Mathias Kirk Thogersen, Maxime Giardinetti, Andreu Vidal-Albala, Adam Simon, K. N. Houk, and Karl Anker Jorgensen: "Catalytic Enantioselective Hetero-[6+4] and –[6+2] Cycloadditions for the Construction of Condensed Polycyclic Pyrroles, Imidazoles, and Pyrazoles," J. Am. Chem. Soc., 141, 3288-3297 (2019). (PDF)

1212. Sarah. E. Cleary, Xin Li, Li-Chen Yang, K. N. Houk, Xin Hong, and Matthias Brewer: "Reactivity Profiles of Diazo Amides, Esters, and Ketones in Transition-Metal-Free C-H Insertion Reactions," J. Am. Chem. Soc., 141, 3558-3565 (2019). (PDF)

1213. Xiongyi Huang, Marc Garcia-Borras, Kun Miao, S. B. Jennifer Kan, Arjun Zutshi, K. N. Houk, and Frances H. Arnold: "A Biocatalytic Platform for Synthesis for Chiral a-Trifluoromethylated Organoborons," ACS Cent. Sci., 5, 270-276 (2019). (PDF)

1214. Shuming Chen, Sining Wang, and K. N. Houk: "Origins of Contrasteric pi-Facial Selectivity in Epoxidations of Encumbered Tetrahydropyridines by a Bifunctional Peracid," Synlett, 30, 459-463 (2019). (PDF)

1215. Yifan Deng, Minh D. Nguyen, Yike Zou, K. N. Houk, and Amos B. Smith III: "Generation of Dithianyl and Dioxolanyl Radicals Using Photoredox Catalysis: Application in the Total Synthesis of the Danshenspiroketallactones via Radical Relay Chemistry," Org. Lett., 21, 1708-1712 (2019). (PDF)

1216. Bo Zhang, Kai Biao Wang, Wen Wang, Xin Wang, Fang Liu, Jiapeng Zhu, Jing Shi, Ying Yu Li, Hao Han, Kuang Xu, Hong Yun Qiao, Xiao Zhang, Rui Hua Jiao, Kendall N. Houk, Yong Liang, Ren Xiang Tan, and Hui Ming Ge: "Enzyme-Catalysed [6+4] Cycloadditions in the Biosynthesis of Natural Products," Nature, 568, 122-126 (2019). (PDF)

1217. Ga Young Lee, Katherine L. Bay, and Kendall N. Houk: "Evaluation of DFT Methods and Implicit Solvation Models for Anion-Binding Host-Guest Systems," Helv. Chim. Acta, 102, e1900032 (2019). (PDF)

1218. Zhongyue Yang, Cooper S. Jamieson, Xiao-Song Xue, Marc Garcia-Borras, Tyler Benton, Xiaofei Dong, Fang Liu, and K. N. Houk: "Mechanisms and Dynamics of Reactions Involving Entropic Intermediates," Trends in Chemistry, 1, 22-34 (2019). (PDF)

1219. Zhuan Zhang, Cooper S. Jamieson, Yi-Lei Zhao, Dehai Li, Masao Ohashi, K. N. Houk, and Yi Tang: "Enzyme-Catalyzed Inverse-Electron Demand Diels-Alder Reaction in the Biosynthesis of Antifungal Ilicicolin H," J. Am. Chem. Soc., 141, 5659-5663 (2019). (PDF)

1220. Michael M. Yamano, Rachel R. Knapp, Aurapat Ngamnithiporn, Melissa Ramirez, Kendall N. Houk, Brian M. Stoltz, and Neil K. Garg: "Cycloadditions of Oxacyclic Allenes and a Catalytic Asymmetric Entryway to Enantioenriched Cyclic Allenes," Angew. Chem. Int. Ed., 58, 5653-5657 (2019). (PDF)

1221. Chung Whan Lee, Buck L. H. Taylor, Galina P. Petrova, Ashay Patel, Keiji Morokuma, K. N. Houk, and Brian M. Stoltz: "An Unexpected Ireland–Claisen Rearrangement Cascade During the Synthesis of the Tricyclic Core of Curcusone C: Mechanistic Elucidation by Trial-and-Error and Automatic Artificial Force-Induced Reaction (AFIR) Computations," J. Am. Chem. Soc., 141, 6995-7004 (2019). (PDF)

1222. Cooper S. Jamieson, Masao Ohashi, Fang Liu, Yi Tang, and K. N. Houk: "The Expanding World of Biosynthetic Pericyclases: Cooperation of Experiment and Theory for Discovery," Nat. Prod. Rep., 36, 698-713 (2019). (PDF)

1223. Trevor A. Hamlin, Brian J. Levandowski, Ayush K. Narsaria, Kendall N. Houk, and F. Matthias Bickelhaupt: "Structural Distortion of Cycloalkynes Influences Cycloaddition Rates both by Strain and Interaction Energies, " Chem. Eur. J., 25, 6342-6348 (2019). (PDF)

1224. Brian J. Levandowski, Ronald T. Raines, and K. N. Houk: "Hyperconjugative pi -> sigma*CF Interactions Stabilize the Enol Form of Perfluorinated Cyclic Keto-Enol Systems," J. Org. Chem., 84, 6432-6436 (2019). (PDF)

1225. Yong-Bin Wang, Peiyuan Yu, Zhi-Peng Zhou, Jian Zhang, Jun (Joelle) Wang, Shi-Hui Luo, Qiang-Shuai Gu, K. H. Houk, and Bin Tan: "Rational Design, Enantioselective Synthesis and Catalytic Applications of Axially Chiral EBINOLs," Nature Cat., 2, 504-513 (2019). (PDF)

1226. Yanmin Yu, Zhongyue Yang, and K. N. Houk: "Molecular Dynamics of the Intramolecular 1, 3-dipolar Ene Reaction of a Nitrile Oxide and an Alkene: Non-statistical Behavior of a Reaction Involving a Diradical Intermediate," Mol. Phys., 117, 1360-1366 (2019). (PDF)

1227. Feng Ni, Arunika Ekanayake, Bianca Espinosa, Caiyun Yu, Jacob N. Sanders, John Perino, K. N. Houk, and Chao Zhang: "Synthesis and Target Identification of a Novel Electrophilic Warhead, 2-Chloromethylquinoline," Biochem., 58, 2715-2719 (2019). (PDF)

1228. Lingchao Cai, Kui Zhang, Shuming Chen, Romain J. Lepage, K. N. Houk, Elizabeth H. Krenske, and Ohyun Kwon: "Catalytic Asymmetric Staudinger-aza-Wittig Reaction for the Synthesis of Heterocyclic Amines," J. Am. Chem. Soc., 141, 9537-9542 (2019). (PDF)

1229. Kun Liu, Ravi Kurukulasuriya, Kevin Dykstra, Lisa DiMichelle, Jinchu Liu, Petr Vachal, Anthony Ogawa, Robert J. DeVita, Dong-Ming Shen, Qiang Tan, Yili Chen, Don Gauthier, Andreas Verras, Alejandro Crespo, Beata Zamlynny, Jeffrey Madwed, Maarten Hoek, Thomas Bateman, Yun-Fang Yang, K. N. Houk, Shan Krska, and Tim Cernak: "Development of Indazole Mineralocorticoid Reception Antagonists and Investigation into Their Selective Late-Stage Functionalization," Biol. Med. Chem. Lett., 29, 1854-1858 (2019). (PDF)

1230. Dennis Svatunek and Kendall N. Houk: "autoDIAS: A Python Tool for an Automated Distortion/Interaction Activation Strain Analysis," J. Comp. Chem., 40, 2509-2525 (2019). (PDF)

1231. Yike Zou, Xiao-Song Xue, Yifan Deng, Amos B. Smith III, and K. N. Houk: "Factors Controlling Reactivity in the Hydrogen Atom Transfer and Radical Addition Steps of a Radical Relay Cascade," Org. Lett., 21, 5894-5897 (2019). (PDF)

1232. Benjamin Wigman, Stasik Popov, Alex L. Bagdasarian, Brian Shao, Tyler R. Benton, Chloe G. Williams, Steven P. Risher, Vincent Lavallo, K. N. Houk, and Hosea M. Nelson: "Vinyl Carbocations Generated under Basic Conditions and Their Intramolecular C-H Insertion Reactions," J. Am. Chem. Soc., 141, 9140-9144 (2019). (PDF)

1233. Julian Tu, Dennis Svatunek, Saba Parvez, Albert C. Liu, Brian J. Levandowski, Hannah J. Eckvahl, Randall T. Peterson, Kendall N. Houk, and Raphael M. Franzini: "Stable, Reactive, and Orthogonal Tetrazines: Dispersion Forces Promote the Cycloaddition with Isonitriles," Angew. Chem. Int. Ed., 58, 9043-9048 (2019). (PDF)

1234. Melodie M. Machovina, Sam J. B. Mallinson, Brandon C. Knott, Alexander W. Meyers, Marc Garcia-Borras, Lintao Bu, Japheth E. Gado, April Oliver, Graham P. Schmidt, Daniel J. Hinchen, Michael F. Crowley, Christopher W. Johnson, Ellen L. Neidle, Christina M. Payne, Kendall N. Houk, Gregg T. Beckham, John E. McGeehan, and Jennifer L. DuBois: "Enabling Microbial Syringol Conversion through Structure-Guided Protein Engineering," Proc. Natl. Acad. Sci. USA, 116, 13970-13976 (2019). (PDF)

1235. Yujuan Cai, Yang Hai, Masao Ohashi, Cooper S. Jamieson, Marc Garcia-Borras, K. N. Houk, Jiahai Zhou, and Yi Tang: "Structural Basis for Stereoselective Dehydration and Hydrogen-Bonding Catalysis by the SAM-Dependent Pericyclase Lepl," Nature Chem., 11, 812-820 (2019). (PDF)

1236. Lucas C. Moore, Anna Lo, Jason S. Fell, Matthew R. Duong, Jose A. Moreno, Barry E. Rich, Martin Bravo, James C. Fettinger, Lucas W. Souza, Marilyn M. Olmstead, Kendall N. Houk, and Jared T. Shaw: "Acyclic Stereocontrol in the Additions of Nucleophilic Alkenes to alpha-Chiral N-Sulfonyl Imines," Chem. Eur. J., 25, 12214-12220 (2019). (PDF)

1237. Yingzi Li, Haohua Chen, Ling-Bo Qu, K. N. Houk, and Yu Lan: "Origin of Regiochemical Control in Rh(III)/Rh(V)-Catalyzed Reactions of Unsaturated Oximes and Alkenes to Form Pyridines," ACS Catal., 9, 7154-7165 (2019). (PDF)

1238. Yike Zou, Shuming Chen, and K. N. Houk: "Origins of Selective Formation of 5-Vinyl-2-methylene Furans from Oxyallyl/Diene (3+2) Cycloadditions with Pd(0) Catalysis," J. Am. Chem. Soc., 141, 12382-12387 (2019). (PDF)

1239. Chenhao Zhang, Shuming Chen, Chen-Xi Ye, Klaud Harms, Lilu Zhang, K. N. Houk, and Eric Meggers: "Asymmetric Photocatalysis by Intramolecular Hydrogen-Atom Transfer in Photoexcited Catalyst-Substrate Complex," Angew. Chem. Int. Ed., 58, 14462-14466 (2019). (PDF)

1240. Qibin Chen, Jie Gao, Cooper Jamieson, Jiawang Liu, Masao Ohashi, Jian Bai, Daojian Yan, Bingyu Liu, Yongsheng Che, Yanan Wang, K. N. Houk, and Youcai Hu: "Enzymatic Intermolecualr Hetero-Diels-Alder Reaction in the Biosynthesis of Tropolonic Sesquiterpenes," J. Am. Chem. Soc., 141, 14052-14056 (2019). (PDF)

1241. Xin Mu, Jonathan C. Axtell, Nicholas A. Bernier, Kent O. Kirlikovali, Dahee Jung, Alexander Umanzor, Kevin Qian, Xiangyang Chen, Katherine L. Bay, Monica Kirollos, Arnold L. Rheingold, K. N. Houk, and Alexander M. Spokoyny: "Sterically Unprotected Nucleophilic Boron Cluster Reagents," Chem., 5, 2461-2469 (2019). (PDF)

1242. Xia-Ping Fu, Xiao-Song Xue, Xue-Ying Zhang, Yu-Lan Xiao, Shu Zhang, Yin-Long Guo, Xuebing Leng, Kendall N. Houk, and Xingang Zhang: "Controllable Catalytic Difluorocarbene Transfer Enables Access to Diversified Fluoroalkylated Arenes," Nature Chem., 11, 948-956 (2019). (PDF)

1243. Lanxuan Liu, Ting Shi, Kendall N. Houk, and Yi-Lei Zhao: "Understanding the R882H Mutation Effects of DNA Methyltransferase DNMT3A: A Combination of Molecular Dynamics Simulations and QM/MM Calculations," RSC Adv., 9, 31425-31434 (2019). (PDF)

1244. Vincent Le Fouler, Yu Chen, Vincent Gandon, Vincent Bizet, Christophe Salome, Thomas Fessard, Fang Liu, K. N. Houk, and Nicholas Blanchard: "Activating Pyrimidines by Pre-distortion for the General Synthesis of 7-Aza-indazoles from 2-Hydrazonylpyrimidines via Intramolecular Diels-Alder Reactions," J. Am. Chem. Soc., 141, 15901-15909 (2019). (PDF)

1245. Hanliang Zheng, Yueqian Sang, K. N. Houk, Xiao-Song Xue, and Jin-Pei Cheng: "Mechanism and Origins of Enantioselectivities in Spirobiindane-Based Hypervalent Iodine(III)-Induced Asymmetric Dearomatizing Spirolactonizations," J. Am. Chem. Soc., 141, 16046-16056 (2019). (PDF)

1246. Kendall N. Houk and Hans-Ulrich Reissig: "Rolf Huisgen’s Legacy," Chem., 5, 2499-2505 (2019). (PDF)

1247. Brian J. Levandowski, Nile S. Abularrage, K. N. Houk, and Ronald T. Raines: "Hyperconjugative Antiaromaticity Activates 4H-Pyrazoles as Inverse-Electron-Demand Diels-Alder Dienes," Org. Lett., 21, 8492-8495 (2019). (PDF)

1248. David N. Kamber, Sean S. Nguyen, Fang Liu, Jeffrey S. Briggs, Hui-Wen Shih, R. David Row, Zane G. Long, K. N. Houk, Yong Liang, and Jennifer A. Prescher: "Isomeric Triazines Exhibit Unique Profiles of Bioorthogonal Reactivity," Chem. Sci., 10, 9109-9114 (2019). (PDF)

1249. Qingyun Dan, Sean A. Newminster, Kimberly R. Klas, Amy E. Fraley, Timothy J. McAfoos, Amber D. Somoza, James D. Sunderhaus, Ying Ye, Vikram V. Shende, Fengan Yu, Jacob N. Sanders, W. Clay Brown, Le Zhao, Robert S. Paton, K. N. Houk, Janet L. Smith, David H. Sherman, and Robert M. Williams: "Fungal Indole Alkaloid Biogenesis through Evolution of a Bifunctional Reductase/Diels-Alderase," Nature Chem., 11, 972-980 (2019). (PDF)

1250. Renwei Zhang, Wengang Guo, Meng Duan, K. N. Houk, and Jianwei Sun: "Asymmetric Desymmetrization of Oxetanes for the Synthesis of Chiral Tetrahydrothiophenes and Tetrahydroselenophenes," Angew. Chem. Int. Ed., 58, 18055-18060 (2019). (PDF)

1251. Jonathan R. Chekan, Ga Young Lee, Abrahim El Gamal, Trevor N. Purdy, K. N. Houk, and Bradley S. Moore: "Bacterial Tetrabromopyrrole Debrominase Shares a Reductive Dehalogenation Strategy with Human Thyroid Deiodinase," Biochem., 58, 5329-5338 (2019). (PDF)

1252. Yongpeng Yao, Chunyan An, Declan Evans, Weiwei Liu, Wei Wang, Guangzheng Wei, Ning Ding, K. N. Houk, and Shu-Shan Gao: "Catalase Involved in Oxidative Cyclization of the Tetracyclic Ergoline of Fungal Ergot Alkaloids," J. Am. Chem. Soc., 141, 17517-17521 (2019). Correction: J. Am. Chem. Soc., 144, 10094 (2022). (PDF)

1253. David McLeod, Mathias Kirk Thogersen, Nicolaj Inunnguaq Jessen, Karl Anker, Jorgensen, Cooper S. Jamieson, Xiao-Song Xue, K. N. Houk, Fang Liu, and Roald Hoffmann: "Expanding the Frontiers of Higher-Order Cycloadditions," Acc. Chem. Res., 52, 3488-3501 (2019). (PDF)

1254. Matthew D. DeMars, Nathan L. Samora, Song Yang, Marc Garcia-Borras, Jacob N. Sanders, K. N. Houk, Larissa M. Podust, and David H. Sherman: "Exploring the Molecular Basis for Substrate Specificity in Homologous Macrolide Biosynthetic Cytochromes P450," J. Biol. Chem., 294, 15947-15961 (2019). (PDF)

1255. Zijun Zhou, Shuming Chen, Yubiao Hong, Erik Winterling, Yuqi Tan, Marcel Hemming, Klaus Harms, K. N. Houk, and Eric Meggers: "Non-C2-Symmetric Chiral-at-Ruthenium Catalyst for Highly Efficient Enantioselective Intramolecular C(sp3)-H Amidation," J. Am. Chem. Soc., 141, 19048-19057 (2019). (PDF)

1256. Gabrielle H. Lovett, Shuming Chen, Xiao-Song Xue, K. N. Houk, and David W. C. MacMillan: "Open-Shell Fluorination of Alkyl Bromides: Unexpected Selectivity in a Silyl Radical-Mediated Chain Process," J. Am. Chem. Soc., 141, 20031-20036 (2019). (PDF)

1257. Abing Duan, Jason S. Fell, Peiyuan Yu, Colin Yu-Hong Lam, Michel Gravel, and K. N. Houk: "Theoretical Study of Diastereoselective NHC-Catalyzed Cross-Benzoin Reactions between Furfural and N-Boc-Protected alpha-Amino Aldehydes," J. Org. Chem., 84, 13565-13571 (2019). (PDF)

1258. Rui Wang, Jingjing Xue, Kai-Li Wang, Zhuo-Kui Wang, Yanqi Luo, David Fenning, Guangwei Xu, Selbi Nuryyeva, Tianyi Huang, Yepin Zhao, Jonathan Lee Yang, Jiahui Zhu, Minhuan Wang, Shaun Tan, Ilhan Yavuz, Kendall N. Houk, and Yang Yang: "Constructive Molecular Configurations for Surface-Defect Passivation of Perovskite Photovoltaics," Science, 366, 1509-1513 (2019). (PDF)

1259. Jiahang Lv, Xiangyang Chen, Xiao-Song Xue, Binlin Zhao, Yong Liang, Minyan Wang, Liqun Jin, Yu Yuan, Ying Han, Yue Zhao, Yi Lu, Jing Zhao, Wei-Yin Sun, Kendall N. Houk, and Zhuangzhi Shi: "Metal-Free Directed sp2-C-H Borylation," Nature, 575, 336-340 (2019). (PDF)

1260. Textbook, Pierre Vogel and Kendall N. Houk: Organic Chemistry: Theory, Reactivity, and Mechanisms in Modern Synthesis, Wiley-VCH, Weinheim, Germany, 2019. (Ebook)

1261. Cyndi Qixin He, Ching Ching Lam, Peiyuan Yu, Zhihui Song, Maggie Chen, Yu-hong Lam, Shuming Chen, and K. N. Houk: "Catalytic Effects of Ammonium and Sulfonium Salts and External Electric Fields on Aza-Diels-Alder Reactions," J. Org. Chem., 85, 2618-2625 (2019). (PDF)

1262. Abril C. Castro, Adrian Romero-Rivera, Silvia Osuna, K. N. Houk, and Marcel Swart: "Computational NMR Spectra of o-Benzyne and Stable Guests and Their Hemicarceplexes," Chem. Eur. J., 26, 2626-2634 (2020). (PDF)

1263. Amy E. Fraley, Kersti Caddell Haatveit, Ying Ye, Samantha P. Kelly, Sean A. Newmister, Fengan Yu, Robert M. Williams, Janet L. Smith, K. N. Houk, and David H. Sherman: "Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway," J. Am. Chem. Soc., 142, 2244-2252 (2020). (PDF)

1264. Hugo Quintela-Varela, Cooper S. Jamieson, Qianzhen Shao, K. N. Houk, and Dirk Trauner: "Bioinspired Synthesis of (-)-PF-1018," Angew. Chem. Int. Ed., 59, 5263-5267 (2020). (PDF)

1265. Julian Tu, Dennis Svatunek, Saba Parvez, Hannah J. Eckvahl, Minghao Xu, Randall T. Peterson, K. N. Houk, and Raphael M. Franzini: "Isonitrile-Responsive and Bioorthogonally Removable Tetrazine Protecting Groups," Chem. Sci., 11, 169-179 (2020). (PDF)

1266. Elisabeth Eger, Adam Simon, Mahima Sharma, Song Yang, Willem B. Breukelaar, Gideon Grogan, K. N. Houk, and Wolfgang Kroutil: "Inverted Binding of Non-natural Substrates in Strictosidine Synthase Leads to a Switch of Stereochemical Outcome in Enzyme-Catalyzed Pictet-Spengler Reactions," J. Am. Chem. Soc., 142, 792-800 (2020). Correction: J. Am. Chem. Soc., 142, 4525-4526 (2020). (PDF)

1267. Zhen Jie Low, Guang-Lei Ma, Hoa Thi Tran, Yike Zou, Juan Xiong, Limei Pang, Selbi Nuryyeva, Hong Ye, Jin-Feng Hu, K. N. Houk, and Zhao-Xun Liang: "Sungeidines from a Non-canonical Enediyne Biosynthetic Pathway," J. Am. Chem. Soc., 142, 1673-1679 (2020). (PDF)

1268. James I. Murray, Jacob N. Sanders, Paul F. Richardson, K. N. Houk, and Donna G. Blackmond: "Isotopically Directed Symmetry Breaking and Enantioenrichment in Attrition-Enhanced Deracemization," J. Am. Chem. Soc., 142, 3873-3879 (2020). (PDF)

1269. Zhuolong Fan, Katherine L. Bay, Xiangyang Chen, Zhe Zhuang, Han Seul Park, Kap-Sun Yeung, K. N. Houk, Jin-Quan Yu: "Rational Development of Remote C-H Functionalization of Biphenyl: Experimental and Computational Studies," Angew. Chem. Int. Ed., 59, 4770-4777 (2020). (PDF)

1270. Benjamin J. Huffman, Shuming Chen, J. Luca Schwarz, R. Erik Plata, Emily N. Chin, Luke L. Lairson, K. N. Houk, and Ryan A. Shenvi: "Electronic Complementarity Permits Hindered Butenolide Heterodimerization and Discovery of Novel cGAS/STING Pathway Antagonists," Nature Chem., 12, 310-317 (2020). (PDF)

1271. Zachary J. Garlets, Jacob N. Sanders, Hasnain Malik, Christian Gampe, K. N. Houk, and Huw M. L. Davies: "Enantioselective C-H Functionalization of Bicyclo[1.1.1]pentanes," Nature Catal., 3, 351-357 (2020). (PDF)

1272. Arne Matthews, Raspudin Saleem-Batcha, Jacob N. Sanders, Frederick Stull, K. N. Houk, and Robin Teufel: "Aminoperoxide Adducts Expand the Catalytic Repertoire of Flavin Monooxygenases," Nature Chem. Biol., 15, 556-563 (2020). (PDF)

1273. Hang Shi, Yi Lu, Jiang Weng, Katherine L. Bay, Xiangyang Chen, Keita Tanaka, Pritha Verma, Kendall N. Houk, and Jin-Quan Yu: "Differentiation and Functionalization of Remote C-H Bonds in Adjacent Positions," Nature Chem., 4, 399-404 (2020). (PDF)

1274. Melissa Ramirez, Wenfei Li, Yu-hong Lam, Leon Ghosez, and K. N. Houk: "Mechanisms and Conformational Control of (4+2) and (2+2) Cycloadditions of Dienes to Keteniminium Cations," J. Org. Chem., 85, 2597-2606 (2020). (PDF)

1275. Daniel L. Sun, Soumya Poddar, Roy D. Pan, Ethan W. Rosser, Evan R. Abt, Juno Van Valkenburgh, Thuc M. Le, Vincent Lok, Selena P. Hernandez, Janet Song, Joanna Li, Aneta Turlik, Xiaohong Chen, Chi-An Cheng, Wei Chen, Christine E. Mona, Andreea D. Stuparu, Laurent Vergnes, Karen Reue, Robert Damoiseaux, Jeffrey I. Zink, Johannes Czernin, Timothy R. Donahue, Kendall N. Houk, Michael E. Jung, and Caius G. Radu: "Isoquinoline Thiosemicarbazone Displays Potent Anticancer Activity with in vivo Efficacy Against Aggressive Leikemias," RSC Med. Chem., 3, 392-410 (2020). (PDF)

1276. Shuming Chen, Jonathan J. Wong, and K. N. Houk: "Mechanism of the Manolikakes Enamide-Based Domino Reaction for the Stereospecific Construction of Tetrahydropyrans," J. Org. Chem., 85, 3806-3811 (2020). (PDF)

1277. Dennis Svatunek, Ryan P. Pemberton, Joel L. Mackey, Peng Liu, and K. N. Houk: "Concerted [4+2] and Stepwise (2+2) Cycloadditions of Tetrafluorethylene with Butadiene: DFT and DLPNO-UCCSD(T) Explorations," J. Org. Chem., 85, 3858-2864 (2020). (PDF)

1278. Soumitra V. Athavale, Adam Simon, Kendall N. Houk, and Scott E. Denmark: "Demystifying the Asymmetry-Amplifying, Autocatalytic Behaviour of the Soai Reaction through Structural, Mechanistic, and Computational Studies," Nature Chem., 12, 412-423 (2020). (PDF)

1279. Mackenzie W. Krone, Katherine I. Albanese, Gage O. Leighton, Cyndi Qixin He, Ga Young Lee, Marc Garcia-Borras, Alex J. Guseman, David C. Williams, K. N. Houk, Eric M. Brustad, and Marcey L. Waters: "Thermodynamic Consequences of Tyr to Trp Mutations in the Cation-pi-Mediated Binding of Trimethyllysine by the HP1 Chromodomain," Chem. Sci., 11, 3495-3500 (2020). (PDF)

1280. Sheng Xie, Madanodaya Sundhoro, K. N. Houk, and Mingdi Yan: "Electrophilic Azides for Materials Synthesis and Chemical Biology," Acc. Chem. Res., 53, 937-948 (2020). (PDF)

1281. Susanne Baehr, Sabine Brinkmann-Chen, Marc Garcia-Borras, John M. Roberts, Dimitris E. Katsoulis, K. N. Houk, and Frances H. Arnold: "Selective Enzymatic Oxidation of Silanes to Silanols," Angew. Chem. Int. Ed., 59, 15507-15511 (2020). (PDF)

1282. Shang Gao, Meng Duan, Kendall N. Houk, and Ming Chen: "Chiral Phosphoric Acid Dual-Function Catalysis: Asymmetric Allylation with alpha-Vinyl Allylboron Reagents," Angew. Chem. Int. Ed., 10540-10548 (2020). (PDF)

1283. Morgan M. Walker, Brian Koronkiewicz, Shuming Chen, K. N. Houk, James M. Mayer, and Jonathan Ellman: "Highly Diastereoselective Functionalization of Piperidines by Photoredox-Catalyzed alpha-Amino C-H Arylation and Epimerization," J. Am. Chem. Soc., 142, 8194-8202 (2020). Highlighted in Synfacts, 16, 0812 (2020), DOI: 10.1055/s-0040-1707029. (PDF)

1284. Shan-Shui Meng, Peiyuan Yu, Yi-Zhe Yu, Yong Liang, K. N. Houk, and Wen-Hua Zheng: "Computational Design of Enhanced Enantioselectivity in Chiral Phosphoric Acid-Catalyzed Oxidative Desymmetrization of 1,3-Diol Acetals," J. Am. Chem. Soc., 142, 8506-8513 (2020). Highlited in Synfacts, 16, 0841 (2020), DOI: 10.1055/s-0040-0170742. (PDF)

1285. Dongshun Ni, Brittany P. Witherspoon, Hong Zhang, Chen Zhou, K. N. Houk, and M. Kevin Brown: "Stereoselective [4+2]-Cycloaddition with Chiral Alkenylboranes," Angew. Chem. Int. Ed., 59, 11432-11439 (2020). (PDF)

1286. Undramaa Bat-Erdene, Daiki Kanayama, Dan Tan, William C. Turner, K. N. Houk, Masao Ohashi, and Yi Tang: "Iterative Catalysis in the Biosynthesis of Mitochondrial Complex II Inhibitors Harzianopyridone and Atpenin B," J. Am. Chem. Soc., 142, 8550-8554 (2020). (PDF)

1287. Lei Gao, Cong Su, Xiaoxia Du, Ruishan Wang, Shuming Chen, Yu Zhou, Chengwei Liu, Xiaojing Liu, Runze Tian, Liyun Zhang, Kebo Xie, She Chen, Qianqian Guo, Lanping Guo, Yoshio Hano, Manabu Shimazaki, Atsushi Minami, Hideaki Oikawa, Niu Huang, K. N. Houk, Luqi Huang, Jungui Dai, and Xiaoguang Lei: "FAD-Dependent Enzyme-Catalysed Intermolecular [4+2] Cycloaddition in Natural Product Biosynthesis," Nature Chem., 12, 620-628 (2020). (PDF)

1288. Bichao Song, Peipei Xie, Yingzi Li, Jiping Hao, Lu Wang, Xiangyang Chen, Zhongliang Xu, Haitian Quan, Liguant Lou, Yuanzhi Xia, K. N. Houk, and Weibo Yang: "Pd-Catalyzed Decarboxylative Olefination: Stereoselective Synthesis of Polysubstituted Butadienes and Macrocyclic P-glycoprotein Inhibitors," J. Am. Chem. Soc., 142, 9982-9992 (2020). (PDF)

1289. Xing Jiang, Song Yang, Marcus J. Jellen, K. N. Houk, and Miguel Garcia-Garibay: "Molecular Spur Gears with Triptycene Rotators and a Norbornane-Based Stator," Org. Lett., 22, 4049-4052 (2020). (PDF)

1290. Pan-Pan Chen, Jeffrey I. Seeman, and Kendall N. Houk: "Rolf Huisgen’s Classic Studies of Cyclic Triene Diels-Alder Reactions Elaborated by Modern Computational Analysis," Angew. Chem. Int. Ed., 59, 12506-12519 (2020). (PDF)

1291. Chen-Xi Ye, Shuming Chen, Feng Han, Xiulan Xie, Sergei Ivlev, K. N. Houk, and Eric Meggers: "Atroposelective Synthesis of Axially Chiral N-Arylpyrroles by Chiral-at-Rhodium Catalysis," Angew. Chem. Int. Ed., 59, 13552-13556 (2020). (PDF)

1292. Wei-Yi Ding, Peiyuan Yu, Qian-Jin An, Katherine L. Bay, Shao-Hua Xiang Shaoyu Li, Ying Chen, K. N. Houk, and Bin Tan: "DFT-Guided Phostphoric-Acid-Catalyzed Atroposelective Arene Functionalization of Nitrosonaphthalene," Chem, 6, P2046-P2059 (2020). (PDF)

1293. Hao Li, Yu-Ru Liang, Shao-Xin Chen, Wen-Xuan Wang, Yike Zou, Selbi Nuryyeva, K. N. Houk, Juan Xiaong, and Jin-Feng Hu: "Amentotaxins C-V, Structurally Diverse Diterpenoids from the Leaves and Twigs of the Vulnerable Conifer Amentotaxus argotaenia and Their Cytotoxic Effects," J. Nat. Prod., 83, 2129-2144 (2020). (PDF)

1294. Yuanqi Wang, Changcheng Zhang, Yi-Lei Zhao, Rosalinda Zhao, and Kendall N. Houk: "Understand the Specific Regio- and Enantioselectivity of Fluostatin Conjugation in the Post-Biosynthesis," Biomolecules, 10, 815 (2020). (PDF)

1295. Gavin R. Kiel, Katherine L. Bay, Adrian E. Samkian, Nathaniel J. Schuster, Janice B. Lin, Rex C. Handford, Colin Nuckolls, K. N. Houk, and T. Don Tilley: "Expanded Helicenes as Synthons for Chiral Macrocyclic Nanocarbons," J. Am. Chem. Soc., 142, 11084-11091 (2020). (PDF)

1296. Vincent Debrauwer, Aneta Turlik, Lenaic Rummler, Alessandro Prescimone, Nicolas Blanchard, K. N. Houk, and Vincent Bizet: "Ligand-Controlled Regiodivergent Palladium-Catalyzed Hydrogermylation of Ynamides," J. Am. Chem. Soc., 142, 11153-11164 (2020). (PDF)

1297. Fang Liu, Yu Chen, K. N. Houk: "Huisgen’s 1,3-Dipolar Cycloadditions to Fulvenes Proceed via Ambimodal [6+4]/[4+2] Transition States," Angew Chem. Int. Ed., 12412-12416 (2020). (PDF)

1298. Liang-Liang Yang, Declan Evans, Bin Xu, Wen-Tao Li, Mao-Lin Li, Shou-Fei Zhu, K. N. Houk, and Qi-Lin Zhou: "Enantioselective Diarylcarbene Insertion into Si-H Bonds Induced by Electronic Properties of the Carbenes," J. Am. Chem. Soc., 142, 12394-12399 (2020). (PDF)

1299. Ieva Liepuoniute, Jacob N. Sanders, Miguel A. Garcia-Garibay, and K. N. Houk: "Computational Investigation into Ligand Effects on Correlated Geared Dynamics in Dirhodium Supramolecular Gears-Insights Beyond the NMR Expermental Window," J. Org. Chem., 85, 8695-8701 (2020). (PDF)

1300. Ieva Liepuoniute, Chau Minh Huynh, Salvador Perez-Estrada, Yangyang Wang, Saeed Khan, K. N. Houk, and Miguel Garcia-Garibay: "Enhanced Rotation by Ground State Destabilization in Amphydynamic Crystals of a Dipolar 2,3-Difluorophenylene Rotator as Established by Solid State 2H NMR and Dielectric Spectroscopy," J. Phys. Chem. C, 124, 15391-15398 (2020). (PDF)

1301. Jonathan W. Bogart, Nicholas J. Kramer, Aneta Turlik, Rachel M. Bleich, Daniel S. Catlin, Frank C. Schroeder, Satish K. Nair, R. Thomas Williamson, K. N. Houk, and Albert A. Bowers: "Interception of the Bycroft-Gowland Intermediate in the Enzymatic Macrocyclization of Thiopeptides," J. Am. Chem. Soc., 142, 13170-13179 (2020). (PDF)

1302. Dominic P. Goronzy, Jan Stanek, Erin Avery, Han Guo, Zdenek Bastl, Michal Dusek, Nathan M. Gallup, Saliha Gun, Monika Kucerakova, Brian J. Levandowski, Jan Machacek, Vaclav Sicha, John C. Thomas, Adem Yavuz, K. N. Houk, Mehmet Fatih Danisman, Ersen Mete, Anastassia N. Alexandrova, Tomas Base, and Paul S. Weiss: "Influence of Terminal Carboxyl Groups on the Structure and Reactivity of Functionalized m-Carboranethiolate Self-Assembled Monolayers," Chem. Mater., 32, 6800-6809 (2020). (PDF)

1303. Dong Meng, Jonathan Lee Yang, Chengyi Xiao, Rui Wang, Xiaofei Xing, Olkan Kocak, Gulsevim Aydin, Ilhan Yavuz, Selbi Nuryyeva, Lei Zhang, Guogang Liu, Zhenxing Li, Shuai Yuan, Zhao-Kui Wang, Wei Wei, Zhaohui Wang, K. N. Houk, and Yang Yang: "Noncovalent pi-Stacked Robust Topological Organic Framework," Proc. Natl. Acad. Sci. USA, 117, 20397-20403 (2020). (PDF)

1304. Michael. M. Yamano, Andrew V. Kelleghan, Qianzhen Shao, Maude Giroud, Bryan J. Simmons, Bo Li, Shuming Chen, K. N. Houk, and Neil K. Garg: "Intercepting Fleeing Cyclic Allenes with Asymmetric Nickel Catalysis," Nature, 586, 242-247 (2020). (PDF)

1305. Leah L. Lowder, Fengyue Zhao, Mathes M. Vaughan, K. N. Houk, Fang Liu, and Jimmy Wu: "Diversification of Nucleophile-Intercepted Beckmann Fragmentation Products and Related Density Functional Theory Studies," J. Org. Chem., 85, 11396-11408 (2020). (PDF)

1306. Yan Yan, Xin Zang, Cooper S. Jamieson, Hsiao-Ching Lin, K. N. Houk, Jiahai Zhou, and Yi Tang: "Biosynthesis of the Fungal Glyceraldehyde-3-Phosphate Dehydrogenase Inhibitor Heptelidic Acid and Mechanism of Self-Resistance," Chem. Sci., 11, 9554-9562 (2020). (PDF)

1307. Matthew H. Gieuw, Shuming Chen, Zhihai Ke, K. N. Houk, and Ying-Yeung Yeung: "Boron Tribromide as a Reagent for Anti-Markovnikov Addition of HBr to Cyclopropanes," Chem. Sci., 11, 9426-9433 (2020). (PDF)

1308. Yike Zou, Jonathan J. Wong, and K. N. Houk: "Computational Exploration of a Redox-Neutral Organocatalytic Mitsunobu Reaction," J. Am. Chem. Soc., 142, 16403-16408 (2020). (PDF)

1309. Yuqi Tan, Shuming Chen, Zijun Zhou, Yubiao Hong, Sergei Ivlev, K. N. Houk, and Eric Meggers: "Intramolecular C(sp3)-H Bond Oxygenation by Transition-Metal Acylnitrenoids," Angew. Chem. Int. Ed., 59, 21706-21710 (2020). (PDF)

1310. Jacob N. Sanders, HyunJune Jun, Roland A. Yu, James L. Gleason, and K. N. Houk: "Mechanism of an Organocatalytic Cope Rearrangement Involving Iminium Intermediates: Elucidating the Role of Catlayst Ring Size," J. Am. Chem. Soc., 142, 16877-16886 (2020). (PDF)

1311. Masao Ohashi, Cooper S. Jamieson, Yujuan Cai, Dan Tan, Daiki Kanayama, Man-Cheng Tang, Sarah M. Anthony, Jason V. Chari, Joyann S. Barber, Elias Picazo, Thomas B. Kakule, Shugeng Cao, Neil K. Garg, Jiahai Zhou, K. N. Houk, and Yi Tang: "An Enzymatic Alder-Ene Reaction," Nature, 586, 64-69 (2020). (PDF)

1312. Ishika Saha, Eric K. Dang, Dennis Svatunek, Kendall N. Houk, and Patrick G. Harran: "Computational Generation of an Annotated Gigalibrary of Synthesizable, Composite Peptidic Macrocycles," Proc. Natl. Acad. Sci. USA, 117, 24679-24690 (2020). (PDF)

1313. Mackenzie W. Krone, Christopher R. Travis, Ga Young Lee, Hannah J. Eckvahl, K. N. Houk, and Marcey L. Waters: "More Than pi-pi-pi Stacking: Contribution of Amide-pi and CH-pi Interactions to Crotonyllysine Binding by the AF9 YEATS Domain," J. Am. Chem. Soc., 142, 17048-17056 (2020). (PDF)

1314. Luping Liu, Yike Zou, Ahanjit Bhattacharya, Dongyang Zhang, Susan Q. Lang, K. N. Houk and Neal K. Devaraj: "Enzyme-Free Synthesis of Natural Phospholipids in Water," Nature Chem., 12, 1029-1034 (2020). (PDF)

1315. Vikram V. Shende, Yogan Khatri, Sean A. Newminster, Jacob N. Sanders, Petra Lindovska, Fengan Yu, Tyler J. Doyon, Justin Kim, K. N. Houk, Mohammad Movassaghi, and David H. Sherman: "Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase," J. Am. Chem. Soc., 142, 17413-17424 (2020). (PDF)

1316. Song Yang, Matthew D. MeMars II, Jessica M. Grandner, Noelle M. Olson, Yojiro Anzai, David H. Sherman, and K. N. Houk: "Computational-Based Mechanistic Study and Engineering of Cytochrome P450 MycG for Selective Oxidation of 16-Membered Macrolide Antibiotics," J. Am. Chem. Soc., 142, 17981-17988 (2020). (PDF)

1317. Yolanda L. Li, Chih-Te Zee, Janice B. Lin, Victoria M. Basile, Mit Muni, Maria D. Flores, Julen Munariz, Richard B. Kaner, Anastassia N. Alexandrova, K. N. Houk, Sarah H. Tolbert, and Yves Rubin: "Fjord-Edge Graphene Nanoribbons with Site-Specific Nitrogen Substitution," J. Am. Chem. Soc., 142 18093-18102 (2020). (PDF)

1318. Shang Gao, Meng Duan, Qianzhen Shao, K. N. Houk, and Ming Chen: "Development of alpha,alpha-Disbustituted Crotylboronate Reagents and Stereoselective Crobylation via Brønsted or Lewis Acid Catalysis," J. Am. Chem. Soc., 142, 18355-18368 (2020). (PDF)

1319. Soumitra V. Athavale, Adam Simon, K. N. Houk, and Scott E. Denmark: "Structural Contributions to Autocatalysis and Asymmetric Amplification in the Soai Reaction," J. Am. Chem. Soc., 142, 18387-18406 (2020). (PDF)

1320. Robert M. Demoret, Meghan A. Baker, Masaki Ohtawa, Shuming Chen, Ching Ching Lam, Sophia Khom, Marisa Roberto, Stefano Forli, Kendall N. Houk, and Ryan A. Shenvi: "Synthetic, Mechanistic, and Biological Interrogation of Ginko biloba Chemical Space En Route to (-)-Bilobalide," J. Am. Chem. Soc., 142, 18599-18618 (2020). (PDF)

1321. Sean A. Newmister, Kinshuk Raj Srivastava, Rosa V. Espinoza, Kersti Caddell Haatveit, Yogan M. Martini, Marc Garcia-Borras, Larissa M. Podust, K. N. Houk, and David H. Sherman: "Molecular Basis of Iterative C-H Oxidation by Taml, a Multifunctional P450 Monooxygenase from the Tirandamycin Biosynthetic Pathway," ACS Catal., 10, 13445-13454 (2020). (PDF)

1322. Yike Zou, Song Yang, Jacob N. Sanders, Wei Li, Peiyuan Yu, Hongbo Wang, Zhijun Tang, Wen Liu, and K. N. Houk: "Computational Investigation of the Mechanism of Diels-Alderase Pyrl4," J. Am. Chem. Soc., 142, 20232-20239 (2020). (PDF)

1323. Jean-Francois Nierengarten, Kendall N. Houk, and Kuiling Ding: "A Journey of a Thousand Miles Begins with a Single Step," Chem. Eur. J., 26, 15344-15345 (2020). (PDF)

1324. Xingguang Li, Meng Duan, Zhiqin Deng, Qianzhen Shao, Min Chen, Guangyu Zhu, K. N. Houk, and Jianwei Sun: "Catalytic Enantioselective Synthesis of Chiral Tetraarylmethanes," Nature Catal., 3, 1010-1019 (2020). (PDF)

1325. Evan E. Hurlow, Janice B. Lin, Morris J. Dweck, Selbi Nuryyeva, Zhengao Feng, Tyler K. Allred, K. N. Houk, and Patrick G. Harran: "Photorearrangement of [8]-2,6-Pyridinophane N-Oxide," J. Am. Chem. Soc., 142, 20717-20724 (2020). (PDF)

1326. Yan Xu, Jonathan J. Wong, Adrian E. Samkian, Jeong Hon Ko, Shuming Chen, K. N. Houk, and Robert H. Grubbs: "Efficient Z-Selective Olefin-Acrylamide Cross-Metathesis Enabled by Sterically Demanding Cyclometalated Ruthenium Catalysts," J. Am. Chem. Soc., 142, 20987-20993 (2020). (PDF)

1327. Fan Yang, Yuan Gao, Yung-Ting Chang, Yike Zou, K. N. Houk, Jing-Rong Lu, Jing He, Wei-Zhuo Tang, Hong-Ze Liao, Hua Han, and Hou-Wen Lin: "Aromatic Ring Substituted Aaptamine Analogues as Potential Cytotoxic Agents against Extranodal Natural Killer/T-Cell Lymphoma," J. Nat. Prod., 83, 3758-3763 (2020). (PDF)

1328. Kendall N. Houk and J. Fraser Stoddart: "Francois N. Diederich: Pioneer of Carbon Allotropes and Molecular Recognition," Proc. Natl. Acad. Sci. USA, 117, 32827-32829 (2020). (PDF)

1329. Yu Chen, Xiao Zhang, Fang Liu, Gucheng He, Ju Zhang, K. N. Houk, Amos B. Smith III, and Yong Liang: "The Role of CuI in the Siloxane-Mediated Pd-Catalyzed Cross-Coupling Reactions of Aryl Iodides with Aryl Lithium Reagents," Chinese Chem. Lett., 32, 441-444 (2020). (PDF)

1330. Tyler Fulton, Alexander Q. Cusumano, Eric J. Alexy, Yun E. Du, Haiming Zhang, K. N. Houk, and Brian M. Stoltz: "Global Diastereoconvergence in the Ireland-Claisen Rearrangement of Isomeric Enolates: Synthesis of Tetrasubstituted alpha-Amino Acids," J. Am. Chem. Soc., 142, 21938-21947 (2020). (PDF)

1331. Niels Hammer, Mette Louise Christensen, Yu Chen, Daniel Naharro, Fang Liu, Karl Anker Jorgensen, and K. N. Houk: "An Experimental Stereoselective Photochemical [1s,3s]-Sigmatropic Silyl Shift and the Existence of Silyl/Allyl Conical Intersections," J. Am. Chem. Soc., 142, 6030-6035 (2020). (PDF)

1332. Chen Yang, Zitong Liu, Yanwei Li, Shuyao Zhou, Chexi Lu, Yilin Guo, Melissa Ramirez, Qingzhu Zhang, Yu Li, Zhirong Liu, K. N. Houk, Deqing Zhang, and Xuefeng Guo: "Electric Field-Catalyzed Single-Molecule Diels-Alder Reaction Dynamics," Sci. Adv., 7, Article Number eabf0689 (2021). (PDF)

1333. De-Wei Gao, Cooper S. Jamieson, Gaoqian Wang, Yan Yan, Jiahai Zhou, K. N. Houk, and Yi Tang: "A Polyketide Cyclase that Forms Medium-Ring Lactones," J. Am. Chem. Soc., 143, 80-84 (2021). (PDF)

1334. Zican Shen, Morgan M. Walker, Shuming Chen, Giovanny A. Parada, Duc M. Chu, Sun Dongbang, James M. Mayer, K. N. Houk, and Jonathan A. Ellman: "General Light-Mediated, Highly Diastereoselective Piperidine Epimerization: From Most Accessible to Most Stable Stereoisomer," J. Am. Chem. Soc., 143, 126-131 (2021). (PDF)

1335. Xiangyang Chen, Mathias Kirk Thøgersen, Limin Yang, Rune F. Lauridsen, Xiao-Song Xue, Karl Anker Jørgensen, and K. N. Houk: "[8+2] vs [4+2] Cycloadditions of Cyclohexadienamines to Tropone and Heptafulvenes - Mechanisms and Selectivities," J. Am. Chem. Soc., 143, 934-944 (2021). (PDF)

1336. Dingyi Wang, Xiangyang Chen, Jonathan J. Wong, Liqun Jin, Mingjie Li, Yue Zhao, K. N. Houk, and Zhuangzhi Shi: "Phosphorus(III)-Assisted Regioselective C-H Silylation of Heteroarenes," Nature Comm., 12, Article Number 524 (2021). (PDF)

1337. Kendall N. Houk, Fang Liu, Zhongyue Yang, Jeffrey L. Seeman: "Evolution of the Diels-Alder Reaction Mechanism since the 1930s: Woodward, Houk with Woodward, and the Influence of Computational Chemistry on Understanding Cycloadditions," Angew. Chem. Int. Ed., 60, 12660-12681 (2021). (PDF)

1338. Sophie Basler, Sabine Studer, Yike Zou, Takahiro Mori, Yusuke Ota, Anna Camus, H. Adrian Bunzel, Roger C. Helgeson, K. N. Houk, Gonzalo Jimenez-Oses, and Donald Hilvert: "Efficient Lewis Acid Catalysis of an Abiological Reaction in a de novo Protein Scaffold," Nature Chem., 13, 231-235 (2021). (PDF)

1339. Ehsan Fereyduni, Ouidad Lahtigui, Jacob N. Sanders, Breanna M. Tomiczek, Michael D. Mannchen, Roland A. Yu, K. N. Houk, and Alexander J. Grenning: "Overcoming Kinetic and Thermodynamic Challenges of Classic Cope Rearrangements," J. Org. Chem., 86, 3632-2643 (2021). (PDF)

1340. Yinglu Cui, Yanchun Chen, Xinyue Liu, Saijun Dong, Yu’e Tian, Yuxin Qiao, Ruchira Mitra, Jing Han, Chunli Li, Xu Han, Weidong Liu, Quan Chen, Wangqing Wei, Xin Wang, Wenbin Du, Shuangyan Tang, Hui Xiang, Haiyan Liu, Yong Liang, Kendall N. Houk, and Bian Wu: "Computational Redesign of a PETase for Plastic Biodegradation under Ambient Condition by the GRAPE Strategy," ACS Catal., 11, 1340-1350 (2021). (PDF)

1341. Bo Li, Hong Tang, Aneta Turlik, Zhao Wan, Xiao-Song Xue, Li Li, Xiaoxiao Yang, Yiuyuan Li, Gang He, Kendall N. Houk, Gong Chen: "Cooperative Stapling of Native Peptides at Lysine and Tyrosine or Arginine with Formaldehyde," Angew. Chem. Int. Ed., 60, 6646-6652 (2021). (PDF)

1342. Dong Meng, Rui Wang, Janice B. Lin, Jonathan Lee Yang, Selbi Nuryyeva, Yu-Che Lin, Chuai Yuan, Zhao-Kui Wang, Elizabeth Zhang, Chengyi Xiao, Daniel Zhu, Lang Jiang, Yepin Zhao, Zhenxing Li, Chenhui Zhu, Kendall N. Houk, and Yang Yang: "Chlorinated Spiroconjugated Fused Extended Aromatics for Multifunctional Organic Electronics," Adv. Mater., 33, Article Number 2006120 (2021). (PDF)

1343. Y.-S. Su, E. S. Lamb, I. Liepuoniute, A. Chronister, A. L. Stanton, P. Guzman, S. Perez-Estrada, T. Y. Chang, K. N. Houk, M. A. Garcia-Garibay, and S. E. Brown: "Dipolar Order in an Amphidynamic Crystalline Metal-Organic Framework through Reorienting Linkers," Nature Chem., 13, 278-283 (2021). (PDF)

1344. Yanrong Li, Sreehari Surendran Rajasree, Ga Young Lee, Jierui Yu, Jian-Hong Tang, Ruidong Ni, Guigen Li, Kendall N. Houk, Prevas Deria, and Peter J. Stang: "Anthracene-Triphenylamine-Based Platinum(II) Metallacates as Synthetic Light-Harvesting Assembly," J. Am. Chem. Soc., 143, 2908-2919 (2021). (PDF)

1345. Dingyi Wang, Mingjie Li, Xiangyang Chen, Minyan Wang, Yong Liang, Yue Zhao, Kendall N. Houk, and Zhuangzhi Shi: "Palladium-Catalyzed Silacyclization of (Hetero)Arenes with a Tetrasilane Reagent through Twofold C-H Activation," Angew. Chem. Int. Ed., 60, 7066-7071 (2021). (PDF)

1346. Manuel Einsiedler, Cooper S. Jamieson, Mark A. Maskeri, Kendall N. Houk, Tobias A. M. Gulder: "Fungal Dioxygenase AsqJ Is Promiscuous and Bimodal: Substrate-Directed Formation of Quinolones versus Quinazolinones," Angew. Chem. Int. Ed., 60, 8297-8302 (2021). (PDF)

1347. Michio Sato, Shinji Kishimoto, Mamoru Yokoyama, Cooper S. Jamieson, Kazuto Narita, Naoya Maeda, Kodai Hara, Hiroshi Hashimoto, Yuta Tsunematsu, Kendall N. Houk, Yi Tang, and Kenji Watanabe: "Catalytic Mechanism and endo-to-exo Selectivity Reversion of an Octalin-Forming Natural Diels-Alderase," Nature Catal., 4, 223-232 (2021). (PDF)

1348. Zheng-Jun Wang, Xiangyang Chen, Lei Wu, Jonathan J. Wong, Yong Liang, Yue Zhao, Kendall N. Houk, and Zhuangzhi Shi: "Metal-Free Directed C-H Borylation of Pyrroles," Angew. Chem. Int. Ed., 60, 8500-8504 (2021). (PDF)

1349. Jordan J. Dotson, Ieva Liepuoniute, J. Logan Bachman, Vince M. Hipwell, Saeed I. Khan, K. N. Houk, Neil K. Garg, and Miguel A. Garcia-Garibay: "Taming Radical Pairs in the Crystalline Solid State: Discovery and Total Synthesis of Psychotriadine," J. Am. Chem. Soc., 143, 4043-4054 (2021). (PDF)

1350. Cooper S. Jamieson, Arkajyoti Sengupta, and K. N. Houk: "Cycloadditions of Cyclopentadiene and Cycloheptatriene with Tropones: All Endo-[6+4] Cycloadditions Are Ambimodal," J. Am. Chem. Soc., 143, 3918-3926 (2021). Correction: J. Am. Chem. Soc., 145, 9366 (2023). (PDF)

1351. Philip A. Provencher, Katherine L. Bay, John F. Hoskin, K. N. Houk, Jin-Quan Yu, and Erik J. Sorensen: "Cyclization by C(sp3)-H Arylation with a Transient Directing Group for the Diastereoselective Preparation of Indanes," ACS Catal., 11, 3115-3127 (2021). (PDF)

1352. Aneta Turlik, Kaori Ando, Pamela Mackey, Emma Alcock, Mark Light, Gerard P. McGlacken, and K. N. Houk: "Mechanism and Origins of Stereoselectivity of the Aldol-Tishchenko Reaction of Sulfinimines," J. Org. Chem., 86, 4296-4303 (2021). (PDF)

1353. Dennis Svatunek, Thomas Hansen, Kendall N. Houk, and Trevor A. Hamlin: "How the Lewis Base F- Catalyzes the 1,3-Dipolar Cycloaddition between Carbon Dioxide and Nitrilimines," J. Org. Chem., 86, 4320-4325 (2021). (PDF)

1354. Gabrielle St-Pierre, Alan H. Cherney, Wencan Chen, Xiaofei Dong, Peter K. Dornan, Daniel J. Griffin, K. N. Houk, Janice B. Lin, Stephen Osgood, Maria V. Silva Elipe, Heath C. Timmons, Yong Xie, Jason S. Tedrow, Oliver R. Thiel, and Austin G. Smith: "Accelerated Development of a Scalable Ring-Closing Metathesis to Manufacture AMG 176 Using a Combined High-Throughput Experimentation and Computational Modeling Approach," Org. Process Res. Dev., 25, 442-451 (2021). (PDF)

1355. You-Jie Yu, Feng-Lian Zhang, Tian-Yu Peng, Chang-Ling Wang, Jie Cheng, Chen Chen, Kendall N. Houk, Yi-Feng Wang: "Sequential C-F Bond Functionalizations of Trifluoroacetamides and Acetates via Spin-Center Shifts," Science, 371, 1232-1240 (2021). (PDF)

1356. Jiajia Ma, Shuming Chen, Peter Bellotti, Renyu Guo, Felix Schafer, Arne Heusler, Xiaolong Zhang, Constantin Daniliuc, M. Kevin Brown, Kendall N. Houk, and Frank Glorius: "Photochemical Intermolecular Dearomative Cycloaddition of Bicyclic Azaarenes with Alkenes," Science, 371, 1338-1345 (2021). (PDF)

1357. Robert M. Hohlman, Sean A. Newminster, Jacob N. Sanders, Yogan Khatri, Shasha Li, Nikki R. Keramati, Andrew N. Lowell, K. N. Houk, and David H. Sherman: "Structural Diversification of Hapalindole and Fischerindole Natural Products via Cascade Biocatalysis," ACS Catal., 11, 4670-4681 (2021). (PDF)

1358. Masao Ohashi, Thomas B. Kakule, Man-Cheng Tang, Cooper S. Jamieson, Mengting Liu, Yi-Lei Zhao, Kendall N. Houk, and Yi Tang: "Biosynthesis of para-Cyclophane-Containing Hirsutellone Family of Fungal Natural Products," J. Am. Chem. Soc., 143, 5605-5609 (2021). (PDF)

1359. Pradipta Das, Michael D. Delost, Munaum H. Qureshi, Jianhua Bao, Jason S. Fell, Kendall N. Houk, and Jon T. Njardarson: "Dramatic Effect of gamma-Heteroatom Dienolate Substitutes on Counterion Assisted Asymmetric Anionic Amino-Cope Reaction Cascades," J. Am. Chem. Soc., 143, 5793-5804 (2021). (PDF)

1360. Christopher Y. Bemis, Chad N. Ungarean, Alexander S. Shved, Cooper S. Jamieson, Taehwan Hwang, Ken S. Lee, K. N. Houk, and David Sarlah: "Total Synthesis and Computational Investigations of Sesquiterpene-Tropolones Ameliorate Stereochemical Inconsistencies and Resolve an Ambiguous Biosynthetic Relationship," J. Am. Chem. Soc., 143, 6006-6017 (2021). (PDF)

1361. Hong Zhang, Alexander J. E. Novak, Cooper S. Jamieson, Xiao-Song Xue, Shuming Chen, Dirk Trauner, and K. N. Houk: "Computational Exploration of the Mechanism of Critical Steps in the Biomimetic Synthesis of Preuisolactone A, and Discovery of New Ambimocal (5+2)/(4+2) Cycloadditions," J. Am. Chem. Soc., 143, 6601-6608 (2021). (PDF)

1362. Marc Garcia-Borras, S. B. Jennifer Kan, Russel D. Lewis, Allison Tang, Gonzalo Jimenez-Oses, Frances H. Arnold, and K. N. Houk: "Origin and Control of Chemoselectivity in Cycochrome c Catalyzed Carbene Transfer into Si-H and N-H Bonds," J. Am. Chem. Soc., 143, 7114-7123 (2021). (PDF)

1363. Yan-Long Zheng, Pei-Pei Xie, Omid Daneshfar, Kendall N. Houk, Xin Hong, and Stephen G. Newman: "Direct Synthesis of Ketones from Methyl Esters by Nickel-Catalyzed Suzuki-Miyaura Coupling," Angew. Chem. Int. Ed., 13476-13483 (2021). (PDF)

1364. Ru-Bing Wang, Shuang-Gang Ma, Cooper S. Jamieson, Rong-Mei Gao, Yun-Bao Liu, Yong Li, Xiao-Jing Wang, Yu-Huan Li, Kendall N. Houk, Jing Qu, and Shi-Shan Yu: "Library Construction of Stereochemically Diverse Isomers of Spirooliganin: Their Total Synthesis and Antiviral Activity," Chem. Sci., 7003-7011 (2021). (PDF)

1365. Pan-Pan Chen, Pengchen Ma, Xue He, Dennis Svatunek, Fang Liu, and Kendall N. Houk: "Computational Exploration of Ambiphilic Reactivity of Azides and Sustmann’s Paradigmatic Parabola," J. Org. Chem., 86, 5792-5804 (2021). (PDF)

1366. Lucrezia De Pascalis, Mei-Kwan Yau, Dennis Svatunek, Zhuoting Tan, Srinivas Tekkam, K. N. Houk, and M. G. Finn: "The Influence of Substitution on Thiol-Induced Oxanorbornadiene Fragmentation," Org. Lett., 23, 3751-3754 (2021). (PDF)

1367. Shuming Chen, Tuo Hu, and K. N. Houk: "Energy of Concert and Origins of Regioselectivity for 1,3-Dipolar Cycloadditions of Diazomethane," J. Org. Chem., 86, 6840-6846 (2021). (PDF)

1368. Sarah M. Anthony, Veronica Tona, Yike Zou, Lucas A. Morrill, John M. Billingsley, Megan Lim, Yi Tang, K. N. Houk, and Neil K. Garg: "Total Synthesis of (-)-Strictosidine and Interception of Aryne Natural Product Derivatives ‘Strictosidyne’ and ‘Strictosamidyne,’" J. Am. Chem. Soc., 143, 7471-7479 (2021). (PDF)

1369. Nomaan M. Rezayee, Valdemar J. Enemaerke, Sif T. Linde, Johannes N. Lamhauge, Gabriel J. Reyes-Rodriguez, Karl Anker Jørgensen, Chenxi Lu, and K. N. Houk: "An Asymmetric SN2 Dynamic Kinetic Resolution," J. Am. Chem. Soc., 143, 7509-7520 (2021). (PDF)

1370. Marcus J. Jellen, Ieva Liepuoniute, Mingoo Jin, Christopher G. Jones, Song Yang, Xing Jiang, Hosea M. Nelson, K. N. Houk, and Miguel A. Garcia-Garibay: "Enhanced Gearing Fidelity Achieved Through Macrocyclization of a Solvated Molecular Spur Gear," J. Am. Chem. Soc., 143, 7740-7747 (2021). (PDF)

1371. Melissa Ramirez, Dennis Svatunek, Fang Liu, Neil K. Garg, Kendall N. Houk: "Origins of Endo Selectivity in Diels-Alder Reactions of Cyclic Allene Dienophiles," Angew. Chem. Int. Ed., 60, 14989-14997 (2021). (PDF)

1372. Ga Young Lee, Elizabeth Hu, Arnold L. Rheingold, K. N. Houk, and Ellen M. Sletten: "Arene-Perfluoroarene Interactions in Solution," J. Org. Chem., 86, 8425-8436 (2021). (PDF)

1373. Bo Li, Yuli Li, Yanfeng Dang, and K. N. Houk: "Post-Transition State Bifurcation in Iron-Catalyzed Arene Aminations," ACS Catal., 11, 6816-6824 (2021). (PDF)

1374. Chuchu Jaing, Bei-Bei He, Rosalinda L. Zhao, Min-Juan Xu, K. N. Houk, and Yi-Lei Zhao: "Computational Exploration of How Enzyme XimE Converts Natural S-Epoxide to Pyran and R-Epoxide to Furan," ACS Catal., 11, 7928-7942 (2021). (PDF)

1375. Rosa V. Espinoza, Kersti Caddell Haatveit. S. Wald Grossman, Jin Yi Tan, Caylie A. McGlade, Yogan Khatri, Sean A. Newminster, Jennifer J. Schmidt, Marc Garcia-Borras, John Montgomery, K. N. Houk, and David H. Sherman: "Engineering P450 Taml as a Iterative Biocatalyst for Selective Late-Stage C-H Functionalization and Epoxidation of Tirandamycin Antibiotics," ACS Catal., 11, 8304-8316 (2021). (PDF)

1376. Grazia Bencivenni, Diana Salazar Illera, Maria Moccia, K. N. Houk, Joseph A. Izzo, Johanna Novacek, Paolo Grico, Mathew J. Vetticatt, Mario Waser, Mauro F. A. Adamo: "Study of Ground State Interactions of Enantiopure Chiral Quaternary Ammonium Salts and Amides, Nitroalkanes, Nitroalkenes, Esters, Heterocycles, Ketones, and Fluoroamides," Chem. Eur J., 27, 11352-11366 (2021). (PDF)

1377. Melissa Ramirez, Evan R. Darzi, Johann S. Donaldson, Kendall N. Houk, and Neil K. Garg: "Cycloaddition Cascades of Strained Alkynes and Oxadiazinones," Angew Chem. Int. Ed., 60, 18201-18208 (2021). (PDF)

1378. Xu Qiu, Yueqian Sang, Hao Wu, Xiao-Song Xue, Zixi Yan, Yachong Wang, Zengrui Cheng, Xiaoyang Wang, Hui Tan, Song Song, Guisheng Zhang, Xiaohui Zhang, K. N. Houk, and Ning Jiao: "Cleaving Arene Rings for Acyclic Alkenylnitrile Synthesis," Nature, 597, 64-69 (2021). (PDF)

1379. Alexander Q. Cusumano, K. N. Houk, and Brian M. Stoltz: "Synthetic Strategy toward Ineleganolide: A Cautionary Tale," Tetrahedron, 93, Article 132289 (2021). (PDF)

1380. Yike Zou and K. N. Houk: "Mechanisms and Dynamics of Synthetic and Biosynthetic Formation of Delitschiapyrones: Solvent Control of Ambimocal Periselectivity," J. Am. Chem. Soc., 143, 11734-11740 (2021). (PDF)

1381. Hyo Jin Gim, Jiyong Park, Michael E. Jung, and K. N. Houk: "Conformational Dynamics of Androgen Receptors Bound to Agonists and Antagonists," Sci. Rep., 11, Article 15887 (2021). (PDF)

1382. Teo Martin, Marco Galeotti, Michela Salamone, Fengjiao Liu, Yanmin Yu, Meng Duan, K. N. Houk, and Massimo Bietti: "Deciphering Reactivity and Selectivity Patterns in Aliphatic C-H Bond Oxygenation of Cyclopentane and Cyclohexane Derivatives," J. Org. Chem., 86, 9925-9937 (2021). (PDF)

1383. Li-Qiang Wan, Xia Zhang, Yike Zou, Rong Shi, Jin-Ge Cao, Shi-Yang Xu, Li-Fan Deng, Li Zhou, Yanqiu Gong, Xiaoling Shu, Ga Young Lee, Haiyan Ren, Lunzhi Daj, Shiqian Qi, K. N. Houk, and Dawen Niu: "Nonenzymatic Stereoselective S-Glycosylation of Polypeptides and Proteins," J. Am. Chem. Soc., 143, 11919-11926 (2021). (PDF)

1384. Pamela Mackey, Aneta Turlik, Kaori Ando, Mark E. Light, K. N. Houk, and Gerard P. McGlacken: "Stereoselective Installation of Five Contiguous Centers in a Double Aldol-Tishchenko Cascade and Evaluation of the Key Transition State through DFT Calculation," Org. Lett., 23, 6372-6376 (2021). (PDF)

1385. Atena B. Solea, Sining Wang, Xiao-Song Xue, Aurelian Crochet, Katharine M. Fromm, Kendall N. Houk, Olimpia Mamula, and Christophe Allemann: "Efficient Synthesis of Isoindolones by Intramolecular Cyclisation of Pyridinylbenzoic Acids," Org. Biomol. Chem., 19, 8025-8029 (2021). (PDF)

1386. Chen Yang, Lei Zhang, Chenxi Lu, Shuyao Zhou, Xingxing Li, Yanwei Li, Yang Yang, Yu Li, Zhirong Liu, Jinlong Yang, K. N. Houk, Fanyang M, and Xuefeng Guo: "Unveiling the Full Reaction Path of the Suzuki-Miyaura Cross-Coupling in a Single-Molecule Junction," Nature Nanotech., 16, 1214-1223 (2021). (PDF)

1387. K. N. Houk, Xiao-Song Xue, Fang Liu, Yu Chen, Xiangyang Chen, and Cooper Jamieson: ":Computations on Pericyclic Reactions Reveal the Richness of Ambimodal Transition States and Pericyclases," Israel J. Chem., 62, e202100071 (2021). (PDF)

1388. Bao-Long Hou, Jonathan J. Wong, Na Lv, Yong-Qiang Wang, K. N. Houk, and Chuang-Chuang Li: "Facile Generation of Bridged Medium-Sized Polycyclic Systems by Rhodium-Catalysed Intramolecular (3+2) Dipolar Cycloadditions," Nature Commun., 12, Article 5239 (2021). (PDF)

1389. Wei Hao, Katherine L. Bay, Caleb F. Harris, Daniel S. King, Ilia A. Guzei, Michael M. Aristov, Zhe Zhuang, R. Erik Plata, David E. Hill, K. N. Houk, John F. Berry, Jin-Quan Yu, and Donna G. Blackmond: "Probing Catalyst Speciation in Pd-MPAAM-Catalyzed Enantioselective C(sp3)-H Arylation: Catalyst Improvement via Destabilization of Off-Cycle Species," ACS Catal., 11, 11040-11048 (2021). (PDF)

1390. Jun Gu, Fengyue Zhao, K. N. Houk, Qianqian Lu, and Fang Liu: "Computational Determination of the Mechanism of the Pd-Catalyzed Formation of Isatoic Anhydrides from o-Haloanilines, CO, and CO2," Dalton Trans., 50, 14453-14461 (2021). (PDF)

1391. Jonathan J Wong, Xiangyang Chen, Kendall N. Houk, and K. Peter C. Vollhardt: "The Trajectory of the (eta(5)-Cyclopentadienyl-cobalt-Mediated Cycloisomerization of the Ene-Yne-Ene-Type Allyl Propargylic Ethers to Furans: A DFT Appraisal," Synthesis, 53, 4279-4289 (2021). (PDF)

1392. Aneta Turlik, K. N. Houk, and Dennis Svatunek: "Origin of Increased Reactivity in Rhenium-Mediated Cycloadditoins of Tetrazines," J. Org. Chem., 86, 13129-13133 (2021). (PDF)

1393. Shang Gao, Meng Duan, Jiaming Liu, Peiyuan Yu, Kendall N. Houk, and Ming Chen: "Stereochemical Control via Chirality Pairing: Stereodivergent Syntheses of Enantioenriched Homoallylic Alcohols," Angew. Chem. Int. Ed., 60, 24096-24106 (2021). (PDF)

1394. Xiangguang Li, Meng Duan, Peiyuan Yu, K. N. Houk, and Jianwei Sun: "Organocatalytic Enantioselective Dearomatization of Thiophenes by 1,10-Conjugate Addition of Indole Imine Methides," Nature Comm., 12, Article 4881 (2021). (PDF)

1395. Linhong Zuo, Pengchen Ma, Teng Liu, Xiangyang Chen, Robert H. Lavroff, Wei-Peng Chen, K. N. Houk, and Wusheng Guo: "Ambiphilic Reactivity of Vinyl Pd-Oxyallyl for Expeditious Construction of Highly Functionalized Cyclooctanoids," Org. Lett., 23, 7330-7335 (2021). (PDF)

1396. Tyler K. Allred, Michal B. Shaghafi, Pan-Pan Chen, Quan Tran, K. N. Houk, and Larry E. Overman: "Constructing Saturated Guanidinum Heterocycles by Cycloaddition of N-Amidinyliminium Ions with Indoles," Org. Lett., 23, 7618-7623 (2021). (PDF)

1397. Yifan Deng, Yike Zou, Chia-Ping H. Yang, K. N. Houk, and Amos B. Smith III: "Total Syntheses of (+)-Peniciketals A-B and (-)-Diocollettines A Exploiting a Photoisomerization/Cyclization Union Protocol,quot; J. Org. Chem., 86, 13583-13597 (2021). (PDF)

1398. Elesha R. Hoffarth, Kersti Caddell Haatveit, Eugene Kuatsjah, Gregory A. MacNeil, Simran Saroya, Charles J. Walsby, Lindsay E. Eltis, K. N. Houk, Marc Garcia-Borras, and Katherine S. Ryan: "A Shared Mechanistic Pathway for Pyridoxal Phosphate-Dependent Arigine Oxidases," Proc. Natl. Acad. Sci. USA, 118, e2012591118 (2021). (PDF)

1399. Fabio Julia, Qianzhen Shao, Meng Duan, Matthew B. Plutschack, Florian Berger, Javier Mateos, Chenxi Lu, Xiao-Song Xue, K. N. Houk, and Tobias Ritter: "High Site Selectivity in Electrophilic Aromatic Substitutions: Mechanism of C-H Thianthrenation," J. Am. Chem. Soc., 143, 16041-16054 (2021). (PDF)

1400. Guang-Jian Mei, Jonathan J. Wong, Wenrui Zheng, Anjanay A. Nangia, K. N. Houk, and Yixin Lu: "Rational Design and Atroposelective Synthesis of N-N Axially Chiral Compounds," Chem., 7, 2743-2757 (2021). (PDF)

1401. Meng-Meng Xu, Limin Yang, Kui Tan, Xiangyang Chen, Qi-Tao Lu, K. N. Houk, and Quan Cai: "An Enantioselective Ambimodal Cross-Diels-Alder Reaction and Application in Synthesis," Nature. Catal., 4, 892-900 (2021). (PDF)

1402. Wendell A. Scott, Eric G. Gharakhanian, Alexandra G. Bell, Declan Evans, Ehab Barun, K. N. Houk, and Timothy Deming: "Active Controlled and Tunable Coacervation Using Side-Chain Functional alpha-Helical Homopolypeptides," J. Am. Chem. Soc., 143, 18196-18203 (2021). (PDF)

1403. Lei Gao, Yike Zou, Xiaojing Liu, Jun Yang, Xiaoxia Du, Jin Wang, Xinshui Yu, Junping Fan, Mingxuan Jiang, Yuli Li, K. N. Houk, and Xiaoguang Lei: "Enzymatic Control of endo- and exo-Stereoselective Diels-Alder Reactions with Broad Substrate Scope," Nature Catal., 4, 1059-1069 (2021). (PDF)

1404. Garrett A. Kukier, Aneta Turlik, Xiao-Song Xue, and K. N. Houk: "Violations. How Nature Circumvents the Woodward-Hoffmann Rules and Promotes the Forbidden Conrotatory 4n + 2 Electron Electrocyclization of Prinzbach’s Vinylogous Sesquifulvalene," J. Am. Chem. Soc., 143, 21694-21704 (2021). (PDF)

1405. Hong Zhang, Mathias Kirk Thøgersen, Cooper S. Jamieson, Xiao-Song Xue, Karl Anker Jørgensen, and Kendall N. Houk: "Ambimodal Transition States in Diels-Alder Cycloadditions of Tropolone and Tropolonate with N-Methylmaleimide," Angew. Chem. Int. Ed., 60, 24991-24996 (2021). (PDF)

1406. Tianyi Huang, Shuan Tan, Selbi Nuryyeva, Ilhan Yavuz, Finn Babe, Yepin Zhao, Maged Abdelsamie, Marc H. Seber, Rui Wang, Kendall N. Houk, Carolin M. Sutter-Fella, and Yang Yang: "Performance-Limiting Formation Dynamics in Mixed-Halide Perovskites," Sci. Adv., 7, eabj1799 (2021). (PDF)

1407. Lorenz M. Urner, Ga Young Lee, Joseph W. Treacy, Aneta Turlik, Saeed I. Khan, K. N. Houk, and Michael E. Jung: "Intramolecular N-H---F Hydrogen Bonding Interaction in a Series of 4-Anilino-5-Fluoroquinazolines: Experimental and Theoretical Characterization of Electronic and Conformational Effects," Chem. Eur. J., 28, e202103135 (2021). (PDF)

1408. Tianyi Huang, Rui Wang, Selbi Nuryyeva, Shaun Tan, Jingjing Xue, Yepin Zhao, Quantan Wu, Marc H. Weber, Pei Cheng, Dong Meng, Ilhan Yavuz, K. N. Houk, and Yang Yang: "Wide-Gap Perovskite via Synergistic Surface Passivation and Its Application toward Efficient Stacked Tandem Photovoltaics," Small, 18, 2103887 (2021). (PDF)

1409. Sofiane Hocine, Gilles Berger, K. N. Houk, and Stephen Hanessian: "Catalytic Properties of 4,5-Bridged Proline Methano- and Ethanologues in the Hajos-Parrish Intramolecular Aldol Reaction," Org. Chem. Frontiers, 9, 649-659 (2022). (PDF)

1410. Zhen Liu, Zi-Yang Qin, Ledong Zhu, Soumitra V. Athavale, Arkajyoti Sengupta, Zhi-Jun Jia, Marc Garcia-Borras, K. N. Houk, and Frances Arnold: "An Enzymatic Platform for Primary Amination of 1-Aryl-2-alkyl Alkynes," J. Am. Chem. Soc., 144, 80-85 (2022). (PDF)

1411. Kuei-Chien Tang, Jian Cao, Lisa M. Boatner, Linwei Li, Jonathan Farhi, Kendall N. Houk, Jennifer Spangle, Keriann M. Backus, and Monika Raj: "Tunable Amine-Reactive Electrophiles for Selective Profiling of Lysine," Angew. Chem. Int. Ed., 61, e202112107 (2021). (PDF)

1412. Junqi Su, Jia-Nan Mo, Xiangyang Chen, Alexander Umanzor, Zheng Zhang, Kendall N. Houk, and Jiannan Zhao: "Generation of Oxyphosphonium Ions by Photoredox/Cobaloxime Catalysi for Scalable Amide and Peptide Synthesis in Batch and Continuous-Flow," Angew. Chem. Int. Ed., 61, e202112668 (2021). (PDF)

1413. Robin Padilla, K. Peter C. Vollhardt, Kendall N. Houk, and Jonathan J. Wong: "Bis(nu5-cyclopentadienyl)[mu-(4b,5,5a-nu3:9b,10,10a-nu3)-2,3,7,8-tetrakis(trimethylsilyl)benzo[3,4]cyclobuta[1,2,-b]biphenylene]-syn-dicobalt (Co-Co), a Dinuclear n-Complex of the Linear [3]Phenylene Framework," Synlett, 33, 34-37 (2022). (PDF)

1414. Benjamin J. Huffman, Tiffany Chu, Yusuke Hanaki, Jonathan J. Wong, Shuming Chen, Kendall N. Houk, and Ryan J. Shenvi: "Stereodivergent Attached-Ring Synthesis via Non-Covalent Interactions: A Short Formal Synthesis of Merrilactone A," Angew. Chem. Int. Ed., 61, e202114514 (2022). (PDF)

1415. Fengyue Zhao, Peiyuan Yu, Yu Chen, Fang Liu, and K. N. Houk: "pi-Facial Stereoselectivity in Acyl Nitroso Cycloadditions to 5,5-Unsymmetrically Substituted Cyclopentadienes: Computational Exploration of Origins of Selectivity and the Role of Substituent Conformations on Selectivity," J. Org. Chem., 86, 17082-17089 (2021). (PDF)

1416. Philip A. Provencher, John F. Hoskin, Jonathan J. Wong, Xiangyang Chen, Jin-Quan Yu, K. N. Houk, and Erik J. Sorensen: "Pd(II)-Catalyzed Synthesis of Benzocyclobutenes by beta-Methylene-Selective C(sp3)-H Arylation with a Transient Directing Group," J. Am. Chem. Soc., 142, 20035-20041 (2021). (PDF)

1417. Stella A. Gonsales, Zoe C. Mueller, Fengyue Zhao, Paulo H. S. Paioti, Lydia Karmazin, Jing Wan, Fang Liu, K. N. Houk, and Amir H. Hoveyda: "Cross-Metathesis of Allenes. Mechanistic Analysis and Identification of a Ru-CAAC as the Most Effective Catalyst," J. Am. Chem. Soc., 143, 20640-20644 (2021). (PDF)

1418. Melissa Ramirez, Vito Vece, Stephen Hanessian, and K. N. Houk: "Computational and Further Experimental Explorations of the Competing Cascades Following Claisen Rearrangements of Aryl Propargyl Ethers: Substituent Effects on Reactivity and Regioselectivity," J. Org. Chem., 86, 17955-17964 (2021). (PDF)

1419. Oussama Yahiaoui, Lauren A. M. Murray, Fengyue Zhao, Bradley S. Moore, Kendall N. Houk, Fang Liu, and Jonathan H. George: "A Diazo-Hooker Reaction, Inspired by the Biosynthesis of Azamerone," Org. Lett., 24, 490-495 (2022). (PDF)

1420. Kelsey M. Kean, Stefanie A. Baril, Kelsey N. Lamb, Sarah N. Dishman, Joseph W. Treacy, Kendall N. Houk, Eric M. Brustad, Lindsey I. James, and Marcey L. Waters: "Systematic Variation of Both the Aromatic Cage and Dialkyllysine via GCE-SAR Reveal Mechanistic Insights in CBX5 Reader Protein Binding," J. Med. Chem., 65, 2646-2655 (2022). (PDF)

1421. Meng Duan, Christian David Diaz-Oviedo, Yang Zhou, Xiangyang Chen, Peiyuan Yu, Benjamin List, Kendall N. Houk, and Yu Lan: "Chiral Phosphoric Acid Catalyzed Conversion of Epoxides into Thiiranes: Mechanism, Stereochemical Model, and New Catalyst Design," Angew. Chem. Int. Ed., 61, e202113204 (2022). (PDF)

1422. Bo Li, Hui Xu, Yangfeng Dang, and K. N. Houk: "Dispersion and Steric Effects on Enantio-/Diastereoselectivities in Synergistic Dual Transition-Metal Catalysis," J. Am. Chem. Soc., 144, 1971-1985 (2022). (PDF)

1423. Benjamin Wigman, Woojin Lee, Wenjing Wei, Kendall N. Houk, and Hosea M. Nelson: "Electrochemical Fluorination of Vinyl Boronates through Donor-Stabilized Vinyl Carbocation Intermediates," Angew. Chem. Int. Ed., Early View Article (2022). (PDF)

1424. Hong Deng, Minyan Wang, Yong Liang, Xiangyang Chen, Tianhang Wang, Jonathan J. Wong, Yue Zhao, Kendall N. Houk, and Zhuangzhi Shi: "Palladium-Catalyzed Stereospecific C-P Coupling toward Diverse PN-heterocycles," Chem, 8, 569-579 (2022). (PDF)

1425. Liwen Xing, Ji-Ren Liu, Xin Hong, Kendall N. Houk, and Christine K. Luscombe: "An Exception to the Carothers Equation Caused by the Accelerated Chain Extension in a Pd/Ag Cocatalyzed Cross Dehydrogenative Coupling Polymerization," J. Am. Chem. Soc., 144, 2311-2322 (2022). (PDF)

1426. David A. Gutierrez, James Fettinger, K. N. Houk, Kaori Ando, and Jared T. Shaw: "Diastereoselective Addition of Prochiral Nucleophilic Alkenes to alpha-Chiral N-Sulfonyl Imines," Org. Lett., 24, 1164-1168 (2022). (PDF)

1427. Katherine I. Albanese, Andrew Leaver-Fay, Joseph W. Treacy, Rodney Park, K. N. Houk, Brian Kuhlman, and Marcey L. Waters: "Comparative Analysis of Sulfonium-pi, Ammonium-pi, and Sulfur-pi Interactions and Relevance to SAM-Dependent Methyltransferases," J. Am. Chem. Soc., 144, 2535-2545 (2022). (PDF)

1428. Kevin A. Murray, Declan Evans, Michael P. Hughes, Michael R. Sawaya, Carolyn J. Hu, Kendall N. Houk, and David Eisenberg: "Extended beta-Strands Contribute to Reversible Amyloid Formation," ACS Nano, 16, 2154-2163 (2022). (PDF)

1429. Ledong Zhu, Mark A. Maskeri, Melissa Ramirez, F. Le Bideau, Leon Ghosez, and K. N. Houk: "Computational Exploration of Anomalous Regioselectivities in Cycloadditions of Ketenes to Oxazolines," J. Org. Chem., 87, 3613-3622 (2022). (PDF)

1430. Isaac Benavides, Eric D. Raftery, Alexandra G. Bell, Declan Evans, Wendell A. Scott, K. N. Houk, and Timothy J. Deming: "Poly(dehydroalanine): Synthesis, Properties, and Functional Diversifcation of a Fluorescent Polypeptide," J. Am. Chem. Soc., 144, 4214-4223 (2022). (PDF)

1431. Rosa V. Espinoza, Mark A. Maskeri, Aneta Turlik, Anjanay Nangia, Yogan Khatri, John Montgomery, K. N. Houk, and David H. Sherman: "Epoxidation and Late-Stage C-H Functionalization by P450 Taml Are Mediated by Variant Heme-Iron Oxidixing Species," ACS Catal., 12, 3731-3742 (2022). (PDF)

1432. Bo Li, Xingyi Guan, Song Yang, Yike Zou, Wen Liu, and K. N. Houk: "Mechanism of the Stereoselective Catalysis of Diels-Alderase PyrE3 Involved in Pyrroindomycin Biosynthesis," J. Am. Chem. Soc., 144, 5099-5107 (2022). (PDF)

1433. Caner Deger, Shaun Tan, K. N. Houk, Yang Yang, and Ilhan Yuvuz: "Lattice Strain Suppresses Point Defect Formation in Halide Perovskites," Nano Research, 15, 5746-5751 (2022). (PDF)

1434. Cooper S. Jamieson, Masao Ohashi, K. N. Houk, and Yi Tang: "Computational Prediction and Experimental Validation of a Bridged Cation Intermediate in Akanthomycin Biosynthesis," J. Am. Chem. Soc., 144, 5280-5283 (2022). (PDF)

1435. Douglas A. Rose, Joseph W. Treacy, Zhongyue J. Yang, Jeong Hoon Ko, K. N. Houk, and Heather D. Maynard: "Self-Immolative Hydroxybenzylamine Linkers for Traceless Protein Modification," J. Am. Chem. Soc., 144, 6050-6058 (2022). (PDF)

1436. Bo Chen, K. N. Houk, Robert Cammi: "High-Pressure Reaction Profiles and Activation Volumes of 1,3-Cyclohexadiene Dimerizations Computed by the Extreme Pressure-Polarizable Continuum Model (XP-PCM)," Chem. Eur. J., 28, e202200246 (2022). (PDF)

1437. Chen Zhang, Hao Zuo, Ga Young Lee, Yike Zou, Qiu-Di Dang, K. N. Houk, and Dawen Niu: "Halogen-Bond-Assisted Radical Activation of Glycosyl Donors Enables Mild and Stereoconvergent 1,2-cis¬-Glycosylation," Nature Chem., 14, 686-694 (2022). (PDF)

1438. Qiaolin Yan, Meng Duan, Cien Chen, Zhiqing Deng, Mandi Wu, Peiyuan Yu, Ming-Liang He, Guangyu Zhu, K. N. Houk, and Jianwei Sun: "Organocatalytic Discrimination of Non-Directing Aryl and Heteroaryl Groups: Enantioselective Synthesis of Bioactive Indole-Containing Triarylmethanes," Chem. Sci., 13, 5767-5773 (2022). (PDF)

1439. Fengjiao Liu, Siqi Ma, Zeying Lu, Anjanay Nangia, Meng Duan, Yanmin Yu, Guozheo Xu, Ye Mei, Massimo Bietti, and K. N. Houk: "Hydrogen Abstraction by Alkoxyl Radicals: Computational Studies of Thermodynamic and Polarity Effects on Reactivities and Selectivities," J. Am. Chem. Soc., 144, 6802-6812 (2022). (PDF)

1440. Qiang Huang, Ga Young Lee, Jiayi Li, Chuan Wang, Rosalinda L. Zhao, Zixin Deng, K. N. Houk, and Yi-Lei Zhao: "Origin of Iodine Preferential Attack at Sulfur in Phosphorothioate and Subsequent P-O or P-S Bond Dissociation," Proc. Natl. Acad. Sci. USA, 119, e2119032119 (2022). (PDF)

1441. Dennis Svatunek, Martin Wilkovitsch, Lea Hartmann, K. N. Houk, and Hannes Mikula: "Uncovering the Key Role of Distortion in Bioorthogonal Tetrazine Tools that Defy the Reactivity/Stability Trade-Off," J. Am. Chem. Soc., 144, 8171-8177 (2022). (PDF)

1442. Jiajia Ma, Shuming Chen, Peter Bellotti, Tobias Wagener, Constantin Daniliuc, Kendall N. Houk, and Frank Glorius: "Facile Access to Fused 2D/3D Rings via Intermolecular Cascade Dearomative [2 + 2] Cycloaddition/Rearrangement Reactions of Quinolines with Alkenes," Nature Catal., 4, 405-413 (2022). (PDF)

1443. Zuodong Sun, Cooper S. Jamieson, Masao Ohashi, K. N. Houk, and Yi Tang: "Discovery and Characterization of a Terpene Biosynthetic Pathway Featuring a Norbornene-Forming Diels-Alderase," Nature Commun., 13, Article Number 2568 (2022). (PDF)

1444. Feng-Lian Zhang, Bin Li, K. N. Houk, and Yi-Feng Wang: "Application of the Spin-Center Shift in Organic Synthesis," JACS Au, 2, 1032-1042 (2022). (PDF)

1445. Wenju Chang, Yu Chen, Shuo Lu, Hongyun Jiao, Yajun Wang, Tianyu Zheng, Zhuangzhi Shi, Yingbin Han, Yi Lu, Yi Wang, Yi Pan, Jin-Quan Yu, Kendall N. Houk, Fang Liu, and Yong Liang: "Computationally Designed Ligands Enable Tunable Borylation of Remote C-H Bonds in Arenes," Chem, 8, 1775-1778 (2022). (PDF)

1446. Zhi-Chen Wu, K. N. Houk, Dale L. Boger, and Dennis Svatunek: "Mechanistic Insights into the Reaction of Amidines with 1,2,3-Triazines and 1,2,3,5-Tetrazines," J. Am. Chem. Soc., 144, 10921-10928 (2022). (PDF)

1447. Woojin Lee, Daniel Polyak, Bokai Xu, K. N. Houk, and Isaac J. Krauss: "A Mechanistic Switch from Homoallylation to Cyclopropylcarbinylation of Aldehydes," Org. Lett., 24, 4660-4664 (2022). (PDF)

1448. Sven Jaaner, Daniel Isak, Yuli Li, Kendall N. Houk, and Aubry K. Miller: "Bioinspired Asymmetric Total Synthesis of Emeriones A-C," Angew. Chem. Int. Ed., 61, e202205878 (2022). (PDF)

1449. Pierre Vogel and Kendall N. Houk: "Organic Chemistry and Synthesis Rely More and More upon Catalysts," Catalysts, 12, 758 (2022). (PDF)

1450. David B. Konrad, Klaus-Peter Ruhmann, Hiroyasu Ando, Belinda E. Hetzler, Nina Strassner, Kendall N. Houk, Bryan W. Matsuura, and Dirk Trauner: "A Concise Synthesis of Tetrodotoxin," Science, 377, 411-415 (2022). (PDF)

1451. Xianqing Wu, Aneta Turlik, Baixue Luan, Feng He, Jingping Qu, K. N. Houk, and Yifeng Chen: "Nickel-Catalyzed Enantioselective Reductive Alkyl-Carmamoylation of Internal Alkenes," Angew. Chem. Int. Ed., 61, e202207536 (2022). (PDF)

1452. Jeff K. Kerkovius, Andrea Stegner, Aneta Turlik, Pik Hoi Lam, Kandall N. Houk, and Sarah E. Reisman: "A Pyridine Dearomatization Approach to the Matrine-Type Lupin Alkaloids," J. Am. Chem. Soc., 144, 15938-15943 (2022). (PDF)

1453. Lei Zhang, Chen Yang, Chenxi Lu, Xingxing Li, Yilin Guo, Jianning Zhang, Jinglong Lin, Zhizhou Li, Chuancheng Jia, Jinlong Yang, K. N. Houk, Fanyang Mo, and Xuefeng Guo: "Precise Electrical Gating of the Single-Molecule Mizoroki-Heck Reaction," Nature Commun., 13, Article Number 4552 (2022). (PDF)

1454. Peng Ji, Cassondra C. Davies, Feng Gao, Jing Chen, Xiang Meng, Kendall N. Houk, Shuming Chen, and Wei Wang: "Selective Skeletal Editing of Polycyclic Arenes Using Organophotoredox Dearomative Functionalization," Nature Commun., 13, Article Number 4565 (2022). (PDF)

1455. Zhuolong Fan, Xiangyang Chen, Keita Tanaka, Han Seul Park, Nelson Y. S. Lam, Jonathan J. Wong, K. N. Houk, and Jin-Quan Yu: "Molecular Editing of Aza-Arene C-H Bonds by Distance, Geometry, and Chirality," Nature, 610, 87-93 (2022). (PDF)

1456. Brittany Trang, Yuli Li, Xiao-Song Xue, Mohamed Ateia, K. N. Houk, and William R. Dichtel: "Low-Temperature Mineralization of Perfluorocarboxylic Acids," Science, 377, 839-845 (2022). (PDF)

1457. Peter Bellotti, Torben Rogge, Fritz Paulus, Ranjini Laskar, Nils Rendel, Jiajia Ma, K. N. Houk, and Frank Glorius: "Visible-Light Photocatalyzed peri-(3+2) Cycloadditions of Quinolines," J. Am. Chem. Soc., 144, 15662-15671 (2022). (PDF)

1458. Arkajyoti Sengupta, Bo Li, Dennis Svatunek, Fang Liu, and K. N. Houk: "Cycloaddition Reactivities Analyzed by Energy Decomposition Analyses and the Fronter Molecular Orbital Model," Acc. Chem. Res., 55, 2467-2479 (2022). (PDF)

1459. Suhong Kim, Pan-Pan Chen, K. N Houk, and Robert R. Knowles: "Reversible Homolysis of a Carbon-Carbon sigma-Bond Enabled by Complexation-Induced Bond-Weakening," J. Am. Chem. Soc., 144, 15488-15496 (2022). (PDF)

1460. Shang Gao, Meng Duan, Laura R. Andreola, Peiyuan Yu, Steven E. Wheeler, Kendall N. Houk, and Ming Chen: "Unusual Enantiodivergence in Chiral Bronsted Acid-Catalyzed Asymmetric Allylation with beta-Alkenyl Allylic Boronates," Angew. Chem. Int. Ed., 61, e202208908 (2022). (PDF)

1461. Renyu Guo, Souvik Adak, Peter Bellotti, Xinfeng Gao, W. Walker Smith, Sam Ngan, Jiajia Ma, K. N Houk, Frank Glorius, Shuming Chen, and M. Kevin Brown: "Photochemical Dearomative Cycloadditions of Quinolines and Alkenes: Scope and Mechanism Studies," J. Am. Chem. Soc., 144, 17680-17691 (2022). (PDF)

1462. Xin He, Pengchen Ma, Yuhai Tang, Jing Li, Shenyu Shen, Martin J. Lear, K. N. Houk, and Silong Xu: "Phosphine-Catalyzed Activation of Cyclopropenones: A Versatile C3 Synthon for (3+2) Annulations with Unsaturated Electrophiles," Chem. Sci., 13, 12769-12775 (2022). (PDF)

1463. Wen-Jie Kang, Bo Li, Meng Duan, Guangxing Pan, Weiqiang Sun, Aishun Ding, Yanbin Zhang, K. N. Houk, and Gao Guo: "Discovery of a Tioxanthone-TfOH Complex as a Photoredox Catalyst for Hydrogenation of Alkenes Using p-Xylene as Both Electron and Hydrogen Sources," Angew. Chem. Int. Ed., 61, e202211562 (2022). (PDF)

1464. David McLeod, Nicolaj Inunnguaq Jessen, Thanh V. Q. Nguyen, Marcus Espe, Jeremy David Erickson, Karl Anker Jorgensen, Limin Yang, and K. N. Houk: "Influence of Achiral Phosphine Ligands on a Synergistic Organo- and Palladium-Catalyzed Asymmetric Allylic Alkylation," Chem. Eur. J., 28, e202202951 (2022). (PDF)

1465. Xin Yang, Sophie Hui Min Lim, Jiachen Lin, Jie Wu, Haidi Tang, Fengyue Zhao, Fang Liu, Chenghua Sun, Xiangcheng Shi, Yulong Kuang, Joanne Yi Hui Toy, Ke Du, Yuannian Zhang, Xiang Wang, Mingtai Sun, Zhixuan Song, Tian Wang, Ji’en Wu, K. N. Houk, and Dejian Huang: "Oxygen Mediated Oxidative Couplings of Flavones in Alkaline Water," Nature Commun., 13, Article Number 6424 (2022). (PDF)

1466. Quan Tran, Arkajyoti Sengupta, and K. N. Houk: "Probative Evidence and Quantitative Energetics for the Unimolecular Mechanism of the 1,5-Sigmatropic Hydrogen Shift of Cyclopentadiene," J. Org. Chem., 87, 14995-15000 (2022). (PDF)

1467. Shaowei Chen, Xiaoqian He, Chenyu Jin, Weilu Zhang, Yuxi Yang, Shanshan Liu, Yu Lan, Kendall N. Houk, and Xiao Shen: "Nickel-Catalyzed Cross-Redistribution between Hydrosilanes and Silacyclobutanes," Angew. Chem. Int. Ed., 61, e202213431 (2022). (PDF)

1468. Wen-Deng Liu, Woojin Lee, Hanyu Shu, Chuyu Xiao, Huiwei Xu, Xiangyang Chen, Kendall N. Houk, and Jiannan Zhao: "Diastereoselective Radical Aminoacylation of Olefins through N-Heterocyclic Carbenes Catalysis," J. Am. Chem. Soc., 144, 22767-22777 (2022). (PDF)

1469. Lucas Vidal, Pan-Pan Chen, Eva Nicolas, Andrew Hackett, Craig M. Robertson, Kendall N. Houk, and Christophe Aissa: "Enantioselective Intramolecular Iridium-Catalyzed Cyclopropanation of alpha-Carbonyl Sulfoxonium Ylides," Org. Lett., 24, 8503-8508 (2022). (PDF)

1470. Pan-Pan Chen, Peter Wipf, and K. N. Houk: "How Mono- and Diphosphine Ligands Alter Regioselectivity of the Rh-Catalyzed Annulative Cleavage of Bicyclo[1.1.0]butanes," Nature Commun., 13, Article Number 7292 (2022). (PDF)

1471. Qingyang Zhou, Mathias K. Thogersen, Nomaan M. Rezayee, Karl Anker Jorgensen, and K. N. Houk: "Ambimodal Bispericyclic [6+4]/[4+6] Transition State Competes with Diradical Pathways in the Cycloheptatriene Dimerization: Dynamics and Experimental Characterization of Thermal Dimers," J. Am. Chem. Soc., 144, 22251-22261 (2022). (PDF)

1472. Tsuyoshi Mita, Hideaki Takano, Hiroki Hayashi, Wataru Kanna, Yu Harabuchi, K. N. Houk, and Satoshi Maeda: "Prediction of High-Yielding Single-Step or Cascade Pericyclic Reactions for the Synthesis of Complex Synthetic Targets," J. Am. Chem. Soc., 144, 22985-23000 (2022). (PDF)

1473. Sepand K. Nistanaki, Chloe G. Williams, Benjamin Wigman, Jonathan J. Wong, Brittany C. Haas, Stasik Popov, Jacob Werth, Matthew S. Sigman, K. N. Houk, and Hosea M. Nelson: "Catalytic Asymmetric C-H Insertion Reactions of Vinyl Carbocations," Science, 378, 1085-1091 (2022). (PDF)

1474. Mark A. Maskeri, Anthony J. Fernandes, Giovanni Di Mauro, Nuno Maulide, and K. N. Houk: "Taming Keteniminium Reactivity by Steering Reaction Pathways: Computational Predictions and Experimental Validations," J. Am. Chem. Soc., 144, 23358-23367 (2022). (PDF)

1475. Matteo Lanzi, Torben Rogge, Tan Sang Truong, K. N. Houk, and Joanna Wencel-Delord: "Cyclic Diaryl lambda3-Chloranes: Reagents and Their C-C and C-O Couplings with Phenols via Aryne Intermediates," J. Am. Chem. Soc., 145, 345-358 (2023). (PDF)

1476. Mary C. Andorfer, Declan Evans, Song Yang, Cyndi Qixin He, Anna M. Girlich, Jaylie Vergara-Coll, Narayanasami Sukumar, K. N. Houk, and Jared C. Lewis: "Analysis of Laboratory-Evolved Flavin-Dependent Halogenases Affords a Computational Model for Predicting Halogenase Site Selectivity," Chem. Catal., 2, 2658-2674 (2022). (PDF)

1477. Lucas Schaus, Anuvab Das, Anders M. Knight, Gonzalo Jimenez-Oses, K. N. Houk, Marc Garcia-Borras, Frances H. Arnold, and Xiongyi Huang: "Protoglobin-Catalyzed Formation of cis-Trifluoromethyl-Substituted Cyclopropanes by Carbene Transfer," Angew. Chem. Int. Ed., 62, e200208936 (2023). (PDF)

1478. Ruirui Su, Kaili Xie, Yong Liang, K. N. Houk, and Fang Liu: "Fluoro, Trifluoromethyl, and Trifluoroacetyl Substituent Effects on Cycloaddition Reactivities: Computations and Analysis," J. Org. Chem., 88, 893-900 (2023). (PDF)

1479. Hongbo Wang, Yike Zou, Miao Li, Zhijun Tang, Jiabao Wang, Zhenhua Tian, Nina Strassner, Qian Yang, Qingfei Zheng, Yujiao Guo, Wen Liu, Lifeng Pan, and K. N. Houk: "A Cyclase that Catalyses Competing 2+2 and 4+2 Cycloadditions," Nature Chem., 15, 177-184 (2023). (PDF)

1480. Zhiwen Liu, Sebastian Rivera, Sean A. Newminster, Jacob N. Sanders, Qiuyue Nie, Shuai Liu, Fanglong Zhao, Joseph D. Ferrara, Hao-Wei Shih, Siddhant Patil, Weijun Xu, Mitchell D. Miller, George N. Phillips, K. N. Houk, David H. Sherman, and Xue Gao: "An NmrA-like Enzyme-Catalysed Redox-Mediated Diels-Alder Cycloaddition with anti-Selectivity," Nature Chem., 15, 526-534 (2023). (PDF)

1481. Brandon J. Bloomer, Sean N. Natoli, Marc Garcia-Borras, Jose H. Pereira, Derek B. Hu, Paul D. Adams, K. N. Houk, Douglas S. Clark, and John F. Hartwig: "Mechanistic and Structural Characterization of an Iridium-Containing Cytochrome Reveals Kinetically Relevent Cofactor Dynamics," Natural Catal., 6, 39-51 (2023). (PDF)

1482. Masao Ohashi, Dan Tan, Jiayan Lu, Cooper S. Jamieson, Daiki Kanayama, Jiahai Zhou, K. N. Houk, and Yi Tang: "Enzymatic cis-Decalin Formation in Natural Product Biosynthesis," J. Am. Chem. Soc., 145, 3301-3305 (2023). (PDF)

1483. Can Qin, Tobias Koengeter, Fengyue Zhao, Yucheng Mu, Fang Liu, K. N. Houk, and Amir H. Hoveyda: "Z-Trisubstituted alpha,beta-Unsaturated Esters and Acid Fluorides through Stereocontrolled Catalytic Cross-Metathesis," J. Am. Chem. Soc., 145, 3748-3762 (2023). (PDF)

1484. Ana Martin-Somer, Xiao-Song Xue, Cooper S. Jamieson, Yike Zou, and K. N. Houk: "Computational Design of a Tetrapericyclic Cycloaddition and the Nature of Potential Energy Surfaces with Multiple Bifurcations," J. Am. Chem. Soc., 145, 4221-4230 (2023). (PDF)

1485. Vikram V. Shende, Natalia R. Harris, Jacob N. Sanders, Sean A. Newmister, Yogan Khatri, Mohammad Movassaghi, Kendall N. Houk, and David H. Sherman: "Molecular Dynamics Simulations Guide Chimeragenesis and Engineering Control of Chemoselectivity in Diketopiperazine Dimerases," Angew. Chem. Int. Ed., Article e200210254 (2023). (PDF)

1486. Kevin J. McNaught, Eugene Kuatsjah, Michael Zahn, Erica T. Prates, Huiling Shao, Gayle J. Bentley, Andrew R. Pickford, Josephine N. Gruber, Kelley V. Hestmark, Daniel A. Jacobson, Brenton C. Poirier, Chen Ling, Myrsini San Marchi, William E. Michener, Carrie D. Nicora, Jacob N. Sanders, Caralyn J. Szostkiewicz, Dusan Velickovic, Mowei Zhou, Nathalie Munoz, Young-Mo Kim, Jon K. Magnuson, Kristin E. Burnum-Johnson, K. N. Houk, John E. McGeehan, Christopher W. Johnson, and Gregg T. Beckham: "Initiation of Fatty Acid Biosynthesis in Pseudomonas putida KT2440," Metab. Eng., 76, 193-203 (2023). (PDF)

1487. Woojin Lee, Hosea M. Nelson, and K. N. Houk: "Computational Exploration of the Nature of Li+-Ureide Anion Catalysis on Formation of Highly Reactive Vinyl Carbocations and Subsequent C-C Bond Forming Reactions," J. Org. Chem., 88, 3403-3408 (2023). (PDF)

1488. Marie Peng, Chang-Sheng Wang, Pan-Pan Chen, Thierry Roisnel, Henri Doucet, K. N. Houk, and Jean-François Soule: "Merging C-H Bond Activation, Alkyne Insertion, and Rearrangements by Rh(III)-Catalysis: Oxindole Synthesis from Nitroarenes and Alkynes," J. Am. Chem. Soc., 145, 4508-4516 (2023). (PDF)

1489. Yepin Zhao, Zongqi Li, Caner Deger, Minhuan Wang, Miroslav Peric, Yanfeng Yin, Dong Meng, Wenxin Yang, Xinyao Wang, Qiyu Xing, Bin Chang, Elizabeth G. Scott, Yifan Zhou, Elizabeth Zhang, Ran Zheng, Jiming Bian, Yantao Shi, Ilhan Yavux, Kung-Hwa Wei, K. N. Houk, and Yang Yang: "Achieving Sustainability of Greenhouses by Integrating Stable Semi-Transparent Organic Photovoltaics," Nature Sustain., 6, 539-548 (2023). (PDF)

1490. Hao Wang, Zhongyu Li, Xiangyang Chen, Jonathan J. Wong, Tongyu Bi, Xiankun Tong, Zhongliang Xu, Mingyue Zhen, Yunhui Wan, Li Tang, Bo Liu, Xinlei Zong, Dandan Xu, Jianpeng Zuo, Li Yang, Wei Huang, Kendall N. Houk, and Weibo Yang: "Multicomponent Coupling and Macrocyclization Enabled by Rh(III)-Catalyzed Dual C-H Activation: Macrocyclic Oxime Inhibitor of Influenza H1N1," Chem, 9, 607-623 (2023). (PDF)

1491. Emma Alcock, Pamela Mackey, Aneta Turlik, Khushi Bhatt, Mark E. Light, Kendall N. Houk, and Gerard P. McGlacken: "The Aldol-Tishchenko Reaction of Butanone, Cyclobutanone, and a 3-Pentanone Derived Sulfinylimine and DFT Calculations of the Stereo-Determining Step," Chem. Eur. J., 29, e202203029 (2023). (PDF)

1492. Shuai Liu, Pengchen Ma, Lu Zhang, Shenyu Shen, Hong-Jie Miao, Le Liu, K. N. Houk, Xin-Hua Duan, and Li-Na Guo: "A Cheap Metal Catalyzed Ring Expansion/Cross-Coupling Cascade: A New Route to Functionalized Medium-Sized Macrolactones," Chem. Sci., 14, 5220-5225 (2023). (PDF)

1493. Chen Yang, Yanwei Li, Shuyao Zhou, Yilin Guo, Chuancheng Jia, Zhirong Liu, Kendall N. Houk, Yonatan Dubi, and Xuefeng Guo: "Real-Time Monitoring of Reaction Stereochemistry through Single-Molecule Observations of Chirality-Induced Spin Selectivity," Nature Chem., 15, 972-979 (2023). Correction: Nature Chem. (2024). https://www.nature.com/articles/s41557-024-01670-2 (PDF)

1494. Hui-Qi Ni, Malkanthi K. Karunananda, Tian Zeng, Shenghua Yang, Zhen Liu, K. N. Houk, Peng Liu, and Keary M. Engle: "Redox-Paired Alkene Difunctionalization Enables Skeletally Divergent Synthesis," J. Am. Chem. Soc., 145, 12351-12359 (2023). (PDF)

1495. Roman Kleinmans, Subhabrata Dutta, Kristers Ozols, Huiling Shao, Felix Schafer, Rebecca E. Thielemann, Hok Tsun Chen, Constantin G. Daniliuc, Kendall N. Houk, and Frank Glorious: "ortho-Selective Dearomative [2pi + 2sigma] Photocycloadditions of Bicyclic Aza-Arenes," J. Am. Chem. Soc., 145, 12324-12332 (2023). (PDF)

1496. Kanji Niwa, Masao Ohashi, Kalli Xie, Chen-Yu Chiang, Cooper S. Jamieson, Michio Sato, Kenji Watanabe, Fang Liu, K. N. Houk, and Yi Tang: "Biosynthesis of Polycyclic Natural Products from Conjugated Polyenes via Tandem Isomerization and Pericyclic Reactions," J. Am. Chem. Soc., 145, 13520-13525 (2023). (PDF)

1497. Yaling Zhang, Chaoqin Cao, Yuanbin She, Yun-Fang Yang, and K. N. Houk: "Molecular Dynamics of Iron Porphyrin-Catalyzed C-H Hydroxylation of Ethylbenzene," J. Am. Chem. Soc., 145, 14446-14455 (2023). (PDF)

1498. Limin Yang, Bo Li, and K. N. Houk: "The Role of Attractive Dispersion Interaction in Promoting the Catalytic Activity of Asymmetric Hydrogenation," Org. Chem. Front., 10, 3485-3490 (2023). (PDF)

1499. Fengyue Zhao, Yixuan Li, K. N. Houk, Qianqian Lu, and Fang Liu: "Computational Elucidation on the Conformational Control of Selectivity in Intramolecular Ring-Closing Metathesis vs Intermolecular Homometathesis," J. Org. Chem., 88, 8512-8521 (2023). (PDF)

1500. Raymond F. Turro, Julie L. H. Wahlman, Z. Jaron Tong, Xiahe Chen, Miao Yang, Emily P. Chen, Xin Hong, Ryan G. Hadt, K. N. Houk, Yun-Fang Yang, and Sarah E. Reisman: "Mechanistic Investigation of Ni-Catalyzed Reductive Cross-Coupline of Alkenyl and Benzyl Electrophiles," J. Am. Chem. Soc., 145, 14705-14715 (2023). (PDF)

1501. Weipeng Li, Yu Chen, Yinghan Chen, Siyu Xia, Wenju Chang, Chengjian Zhu, K. N. Houk, Yong Liang, and Jin Xie: "Site-Selective Arylation of Carboxamides from Unprotected Peptides," J. Am. Chem. Soc., 145, 14865-14873 (2023). (PDF)

1502. Eugene Kuatsjah, Michael Zahn, Xiangyang Chen, Ryo Kato, Daniel J. Hinchen, Mikhail O. Konev, Rui Katahira, Christian Orr, Armin Wagner, Yike Zou, Stefan J. Hausen, Kelsey J. Ramirez, Joshua K. Michener, Andrew R. Pickford, Naofumi Kamimura, Eiji Masai, K. N. Houk, John E. McGeehan, and Gregg T. Beckham: "Biochemical and Structural Characterization of a Sphingomonad Diarylpropane Lyase for Cofactorless Deformylation," Proc. Natl. Acad. Sci., 120, e2212246120 (2023). (PDF)

1503. Angel Mendoza, Salvador J. Bernardinoa, Morris J. Dweck, Isabel Valencia, Declan Evans, Haowen Tian, William Lee, Yu Li, Kendall N. Houk, and Patrick G. Harran: "Cascade Synthesis of Fluorinated Spiroheterocyclic Scaffolding for Peptidic Macrobicycles," J. Am. Chem. Soc., 145, 15888-15895 (2023). (PDF)

1504. Benjamin G. Hejna, Jacob M. Ganley, Huiling Shao, Haowen Tian, Jonathan D. Ellefsen, Nicholas J. Fastuca, Kendall N. Houk, Scott J. Miller, and Robert R. Knowles: "Catalytic Asymmetric Hydrogen Atom Transfer: Enantioselective Hydroamination of Alkenes," J. Am. Chem. Soc., 145, 16118-16129 (2023). (PDF)

1505. Runze Mao, Daniel J. Wackelin, Cooper S. Jamieson, Torben Rogge, Shilong Gao, Anuvab Das, Doris Mia Taylor, K. N. Houk, and Frances Arnold: "Enantio- and Diastereoenriched Enzymatic Synthesis of 1,2,3-Polysubstituted Cyclopropanes from (Z/E)-Trisubstituted Enol Acetates," J. Am. Chem. Soc., 145, 16176-16185 (2023). (PDF)

1506. Liang Hu, Guangrong Meng, Xiangyang Chen, Joseph S. Yoon, Jing-Ran Shan, Nikita Chekshin, Daniel A. Strassfeld, Tao Sheng, Zhe Zhuang, Rodolphe Jazzar, Guy Bertrand, K. N. Houk, and Jin-Quan Yu: "Enhancing Substrate-Metal Catalyst Affinity via Hydrogen Bonding: Pd(II)-Catalyzed beta-C(sp3)-H Bromination of Free Carboxylic Acids," J. Am. Chem. Soc., 145, 16297-16304 (2023). (PDF)

1507. Andy Hsien-Wei Yeh, Christoffer Norn, Yakov Kipnis, Doug Tischer, Samuel J. Pellock, Declan Evans, Pengchen Ma, Gyu Rie Lee, Jason Z. Zhang, Ivan Anishchenko, Brian Coventry, Longzing Cao, Justas Dauparas, Samer Halabiya, Michelle DeWitt, Lauren Carter, K. N. Houk, and David Baker: "De novo Design of Luciferases Using Deep Learning," Nature, 614, 774-780 (2023). (PDF)

1508. Jiawang Liu, Jiayan Lu, Chen Zhang, Qingyang Zhou, Cooper S. Jamieson, Changhui Shang, K. N. Houk, Jiahai Zhou, and Youcai Hu: "Tandem Intermolecular [4+2] Cycloadditions Are Catalysed by Glycosylated Enzymes for Natural Product Biosynthesis," Nature Chem., 1083-1090 (2023). (PDF)

1509. Huamin Wang, Huiling Shao, Ankita Das, Subhabrata Dutta, Hok Tsun Chan, Constantin Laniliuc, K. N. Houk, and Frank Glorius: "Dearomative Ring Expansion of Thiophenes by Bicyclobutane Insertion," Science, 381, 75-81 (2023). (PDF)

1510. Abigail D. Richardson, Scott J. L’Heureux, Ava M. Henry, Elizabeth A. McDonough, Cameron J. Fleischer, Cameron C. McMullen, Trevor R. Reynafarje, Gisele P. Guerrero, Quinn E. Williams, Qingyang Zhou, David M. Malouf, Spencer E. Thurman, Julia E. Soeller, Jerry Y. Sheng, Erica A. Medhurst, Angel E. Canales, Ty B. Cecil, K. N. Houk, Philip J. Costanzo, and Daniel A. Bercovici: "Experimental and Theoretical Exploraion of the Kinetics and Thermodynamics of the Nucleophile-Induced Fragmentation of Ylidenenorbornadiene Carboxylates," J. Org. Chem., 88, 11683-11693 (2023). (PDF)

1511. Dennis Svatunek, Konrad Chojnacki, Titas Deb, Hannah Eckvahl, K. N. Houk, and Raphael M. Franzini: "Orthogonal Inverse-Electron-Demand Cycloaddition Reactions Controlled by Fronter Molecular Orbital Interactions," Org. Lett., 25, 6340-6345 (2023). (PDF)

1512. Huiling Shao, Victor Adebomi, Angele Bruce, Monika Raj, and Kendall N. Houk: "Intramolecular Hydrogen Bonding Enables a Zwitterionic Mechanism for Macrocyclic Peptide Formation: Computational Mechanistic Studies of CyClick Chemistry," Angew. Chem. Int. Ed. 62, e202307210 (2023). (PDF)

1513. Yi Sun, Fengjiao Liu, Jacob N. Sanders, and K. N. Houk: "Role of Steric Effects on Rates of Hydrogen Atom Transfer Reactions," J. Org. Chem., 88, 12668-12676 (2023). (PDF)

1514. Arkajyoti Sengupta and K. N. Houk: "Origins of Periselectivity and Regioselectivity in Ambimodal Tripericyclic [8+6]/[6+4]/[4+2] Intramolecular Cycloadditions of a Heptafulvenyl-Fulvene," J. Phys. Chem. A, 127, 7976-7983 (2023). (PDF)

1515. Xiaolin Yue, Qingyang Zhou, and K. N. Houk: "Computational Exploration of the Thermal Rearrangement of Basketene: One Forbidden versus Two Allowed Pericyclic Reactions," J. Org. Chem., 88, 14303-14307 (2023). (PDF)

1516. Wen-Jie Kang, Bo Li, Zijian Zhao, Shijie Sun, Changhao Feng, Ke Hu, K. N. Houk, and Hao Guo: "Generation of Thioxanthone Hydrogen Anion by Double Photoreduction and Uses for Catalytic Photoreductions," ACS Catal., 13, 13588-13596 (2023). (PDF)

1517. Mengting Liu, Masao Ohashi, Qingyang Zhou, Jacob N. Sanders, Erin P. McCauley, Phillip Crews, K. N. Houk, and Yi Tang: "Enzymatic Benzofuranoindoline Formation in the Biosynthesis of the Strained Bridgehead Bicyclic Dipeptide (+)-Azonazine A," Angew. Chem. Int. Ed., 62, e202311266 (2023). (PDF)

1518. Karan Goyal, Garrett A. Kukier, Xiangyang Chen, Aneta Turlik, K. N. Houk, and Richmond Sarpong: "Rearrangement of a Carboxy-Substituted Spiro[4.4]nonatriene to Annulated Fulvenes through a Pd(II)-mediated 1,5-vinyl Shift," Chem. Sci., 14, 11809-11817 (2023). (PDF)

1519. Mikk Kaasik, Pan-Pan Chen, Sebastijan Ricko, Karl Anker Jorgensen, and K. N. Houk: "Asymmetric [4+2], [6+2], and [6+4] Cycloaddition of Isomeric Formyl Cycloheptatrienes Catalyzed by a Chiral Diamine Catalyst," J. Am. Chem. Soc., 145, 23874-23890 (2023). (PDF)

1520. Marco Galeotti, Woojin Lee, Sergio Sisti, Martina Casciotti, Michela Salamone, K. N. Houk, and Massimo Bietti: "Radical and Cationic Pathways in C(sp3)-H Bond Oxygenation by Dioxiranes of Bicyclic and Spirocyclic Hydrocarbons Bearing Cyclopropane Moieties," J. Am. Chem. Soc., 145, 24021-24034 (2023). (PDF)

1521. Chunsheng Yan, Wenyu Han, Qingyang Zhou, Kanji Niwa, Melody J. Tang, Jessica E. Burch, Yalong Zhang, David A. Delgadillo, Zuodong Sun, Zhongshou Wu, Steven E. Jacobsen, Hosea Nelson, K. N. Houk, and Yi Tang: "Genome Mining from Agriculturally Relevant Fungi Led to a D-Glucose Esterified Polyketide with a Terpene-like Core Structure," J. Am. Chem. Soc., 145, 25080-25085 (2023). (PDF)

1522. Ye-Hui Chen, Meng Duan, Si-Li Lin, Yu-Wei Liu, Jun Kee Cheng, Shao-Hua Xiang, Peiyuan Yu, Kendall N. Houk, and Bin Tan: "Organocatalytic Aromatization-promoted Umpolung Reaction of Imines," Nat. Chem., 16, 408-416 (2023). (PDF)

1523. Runze Maom, Doria Mia Taylor, Daniel J. Wackelin, Torben Rogge, Sophia J. Wu, Kathleen M. Sicinski, K. N. Houk, and Frances H. Arnold: "Biocatalytic, Stereoconvergent Alkylation of (Z/E)-trisubstituted Silyl Enol Ethers," Nat. Synth., 3, 256-264 (2023). (PDF)

1524. Zi-Yang Qin, Shilong Gao, Yike Zou, Zhen Liu, James B. Wang, Kendall N. Houk, and Frances H. Arnold: "Biocatalytic Construction of Chiral Pyrrolidines and Indolines via Intramolecular C(sp3)-H Amination," ACS Cent. Sci., 9, 2333-2338 (2023). (PDF)

1525. Ruirui Su, Xue He, K. N. Houk, Qianqian Lu, and Fang Liu: "Periselectivity and Ambimodal Transition States in Cycloadditions of Tetrachloro-o-benzoquinone with 6,6-dimethylfulvene," J. Comp. Chem., 45, 752-760 (2023). (PDF)

1526. Zexian Li, Minyan Wang, Youqing Yang, Yong Liang, Xiangyang Chen, Yue Zhao, K. N. Houk, and Zhuangzhi Shi: "Atroposelective Hydroarylation of Biaryl Phosphines Directed by Phosphorus Centres," Nat. Comm., 14, Article number 8509 (2023). (PDF)

1527. Ieva Liepuoniute, Jing-Ran Shan, K. N. Houk, and Miguel A. Garcia-Garibay: ""Computational Study of Ground-State Destabilization Effects and Dipole-Dipole Interaction Energies in Amphidynamic Crystals," J. Org. Chem., 89, 9-15 (2024). (PDF)

1528. Qingyang Zhou, Garrett Kukier, Igor Gordiy, Roald Hoffmann, Jeffrey I. Seeman, and K. N. Houk: "A 21st Century View of Allowed and Forbidden Electrocyclic Reactions," J. Org. Chem., 89, 1018-1034 (2024). (PDF)

1529. Woojin Lee, Tyler R. Benton, Arkajyoti Sengupta, and K. N. Houk: "Molecular Dynamics of the Norbornyl Cation in Solution and Its Generation in Winstein-Trifan Solvolysis: The Timing of Sigma Bridging," J. Org. Chem., 89, 1140-1146 (2024). (PDF)

1530. Rozan Tannous, Omri Shelef, Sara Gutkin, Maya David, Thomas Leirikh, Liang Ge, Qais Jaber, Qingyang Zhou, Pengchen Ma, Micha Fridman, Urs Spitz, Kendall N. Houk, and Soron Shabat: "Spirostrain-Accelerated Chemiexcitation of Dioxetanes Yields Unprecedented Detection Sensitivity in Chemiluminescence Bioassays," ACS Cent. Sci., 10, 28-42 (2024). (PDF)

1531. Satyajit Roy, David A. Vargas, Pengchen Ma, Arkajyoti Sengupta, Ledong Zhu, K. N. Houk, and Rudi Fasan: "Stereoselective Construction of beta-, gamma-, and delta-Lactam Rings via Enzymatic C-H Amidation," Nat. Catal., 7, 65-76 (2024). (PDF)

1532. Quan-Hao Wu, Meng Duan, Yu Chen, Peiyuan Yu, Yong-Bin Wang, Jun Kee Cheng, Shao-Hua Xiang, Kendall N. Houk, and Bin Tan: "Organocatalytic Olefin C-H Functionalization for Enantioselective Synthesis of Atropisomeric 1,3-dienes," Nat. Catal., 7, 185-194 (2024). (PDF)

1533. Dennis Svatunek, Anton Murnauer, Zhuoting Tan, K. N. Houk, and Kathrin Lang: "How Cycloalkane Fusion Enhances the Cycloaddition Reactivity of Dibenzocyclooctynes," Chem. Sci., 52, 2229-2235 (2024). (PDF)

1534. Christopher R. Travis, Kelsey M. Kean, Katherine I. Albanese, Hanne C. Henriksen, Joseph W. Treacy, Elaine Y. Chao, K. N. Houk, Marcey L. Waters: "Trimethyllysine Reader Proteins Exhibit Widespread Charge-Agnostic Binding via Different Mechanisms to Cationic and Neutral Ligands," J. Am. Chem. Soc., 146, 3086-3093 (2024). (PDF)

1535. Torben Rogge, Qingyang Zhou, Nicholas J. Porter, Frances H. Arnold, and K. N. Houk: "Iron Heme Enzyme-Catalyzed Cyclopropanations with Diazirings as Carbene Precursors: Computational Explorations of Diazirine Activation and Cyclopropanation Mechanism," J. Am. Chem. Soc., 146, 2959-2966 (2024). (PDF)

1536. Brian J. Levandowski, Brian J. Graham, K. N. Houk, and Ronald T. Raines: "Click Organocatalysis: Accelerations of Azide-Alkyne Cycloadditions with Mutually Orthogonal Click Reactions," J. Org. Chem., 89, 2232-2237 (2024). (PDF)

1537. Zhenqi Zhao, Stasik Popov, Woojin Lee, Jessica E. Burch, David A. Delgadillo, Lee Joon Kim, Mona Shahgholi, Naiara Lebron-Acosta, K. N. Houk, and Hosea M. Nelson: "Accessing Medium-Sized Rings via Vinyl Carbocation Intermediates," Org. Lett., 26, 1000-1005 (2024). (PDF)

1538. Bin Jiang, Lei Gao, Haijun Wang, Yaping Sun, Xiaolin Zhang, Han Ke, Shengchao Liu, Pengchen Ma, Qinggang Liao, Yue Wang, Huan Wang, Yugeng Liu, Ran Du, Torben Rogge, Wei Li, Yi Shang, K. N. Houk, Xingyao Xiong, Daoxin Xie, Sanwen Huang, Xiaoguang Lei, and Jianbin Yan: "Characterization and Heterologous Reconstitution of Taxus Biosynthetic Enzymes Leading to Baccatin III," Science, 383, 622-629 (2024). (PDF)

1539. David A. Vargas, Xinkun Ren, Akrajyoti Sengupta, Ledong Zhu, Satyahit Roy, Marc Garcia-Borras, K. N. Houk, and Rudi Fasan: "Biocatalytic Strategy for the Construction of sp3-rich Polycyclic Compounds from Directed Evolution and Computational Modelling," Nature Chem., 16, 817-826 (2024). (PDF)

1540. Subhabrata Dutta, Yi-Lin Lu, Johannes E. Erchinger, Huiling Shao, Emauel Studer, Felix Schafer, Huaming Wang, Debanjan Rana, Constantin G. Daniliuc, K. N. Houk, and Frank Glorius: "Double Strain-Release [2-pi+2sigma]-Photocycloaddition," J. Am. Chem. Soc., 146, 5232-5241 (2024). (PDF)

1541. Haowen Tian, William Lee, Yuli Li, Morris J. Dweck, Angel Mendoza, Patrick G. Harran, and K. N. Houk: "Origin of Octafluorocyclopentene Polyelectrophilicity," J. Am. Chem. Soc., 146, 5375-5382 (2024). (PDF)

1542. Anthoony J. Fernandes, Rahul Giri, Kendall N. Houk, and Dmitry Katayev: "Review and Theoretical Analysis of Fluorinated Radicals in Direct CAr-H Functionalization of (Hetero)arenes," Angew. Chem. Int. Ed., e202318377 (2024). (PDF)

1543. Maxime de Abreu, Torben Rogge, Matteo Lanzi, Tomas J. Saiegh, Kendall N. Houk, and Joanna Wencel-Delord: "Cyclic Diaryl lamda3-Bromanes as a Precursor for Regiodivergent Alkynylation Reactions," Angew. Chem. Int. Ed., e202319960 (2024). (PDF)

1544. Steven J. Campbell, Chris La, Qingyang Zhou, Jason Le, Jennyfer Galvez-Reyes, Catherine Banach, K. N. Houk, Jie Rou Chen, and Suzanne E. Paulson: "Characterizing Hydroxyl Radical Formation from the Light-Driven Fe(II)-Peracetic Acid Reaction, a Key Process for Aerosol-Cloud Chemistry," Environ. Sci. Technol., 58, 7505-7515 (2024). (PDF)

1545. Evan A. Doud, James A. R. Tilden, Joseph W. Treacy, Elaine Y. Chao, Hayden R. Montgomery, Grace E. Kunkel, Eileen J. Olivares, Nima Adhami, Tyler A. Kerr, Yu Chen, Arnold L. Rheingold, Joseph A. Loo, Christopher G. Frost, K. N. Houk, Heather D. Maynard, and Alexander M. Spokoyny: "Ultrafast Au(III)-Mediated Arylation of Cysteine," J. Am. Chem. Soc., 146, 12365-12374 (2024). (PDF)

1546. Runze Mao, Shilong Gao, Zi-Yang Qin, Torben Rogge, Sophia J. Wu, Zi-Qi Li, Anuvab Das, K. N. Houk, and Frances Arnold: "Biocatalytic, Enantioenriched Primary Amination of Tertiary C-H Bonds," Nature Catal., 7, 585-592 (2024). (PDF)

1547. Matteo Borgini, Qi-Nan Huang, Pan-Pan Chen, Steven J. Geib, K. N. Houk, and Peter Wipf: "Rhodium(I)-Catalyzed Annulation of Bicyclo[1.1.0]butyl-Substituted Dihydroquinolines and Dihydropyridines," J. Am. Chem. Soc., 146, 14927-14934 (2024). (PDF)

1548. Jasper L. Tyler, Felix Schaefer, Huiling Shao, Colin Stein, Audrey Wong, Constantin G. Daniliuc, K. N. Houk, and Frank Glorius: "Bicyclo[1.1.0]butyl Radical Cations: Synthesis and Application to [2pi + 2sigma] Cycloaddition Reactions," J. Am. Chem. Soc. 16237-16247 (2024). (PDF)

1549. Hairong Lyu, Thomas H. Tugwell, Zhijie Chen, Garrett A. Kukier, Aneta Turlik, Yifei Wu, K. N. Houk, Peng Liu, and Guangbin Dong: "Modular Synthesis of 1,2-Azaborines via Ring-Opening BN-Isostere Benzannulation," Nature Chem., 16, 269-276 (2024). (PDF)

1550. Ana S. Bulger, Daniel W. Turner, Qingyang Zhou, K. N. Houk, and Neil K. Garg: "Evaluation of Retro-Aldol vs Retro-Carbonyl-Ene Mechanistic Pathways in a Complexity-Generating C-C Bond Fragmentation," Org. Lett., 26, 3602-3606 (2024). (PDF)

1551. Zengrui Cheng, Haoran Xu, Zhibin Hu, Minghui Zhu, K. N. Houk, Xiao-Song Xue, and Ning Jiao: "Carbene-Assisted Arene Ring-Opening," J. Am. Chem. Soc., 146, 16963-16970 (2024). (PDF)

1552. Grace E. Kunkel, Qingyang Zhou, Joseph W. Treacy, Hayden R. Montgomery, Pedro Salas-Ambrosio, Austin E. Ready, Alexander M. Spokoyny, Kendall N. Houk, and Heather D. Maynard: "Comparison of Cyclic and Linear PEG Conjugates," Bioconjugate Chem., 35, 744-749 (2024). (PDF)

1553. William J. Neary, Fengyue Zhao, Megan C. Murphy, Yu Chen, Fang Liu, K. N. Houk, and Jeffrey S. Moore: "Substituent Effects on Ring Opening Allene Metathesis: Polymerization Rate Enhancement and Regioregularity," Macromolecules, 57, 5350-5357 (2024). (PDF)

1554. Meng Duan, Qianzhen Shao, Qingyang Zhou, Phil S. Baran, and K. N. Houk: "Why •CF2H Is Nucleophilic but •CF3 Is Electrophilic in Reactions with Heterocycles," Nature Comm., 15, Article number 4630 (2024). (PDF)

1555. Francesca Peccati, Elizabeth L. Noey, K. N. Houk, Silvia Osuna, and Gonzalo Jimenez-Oses: "Interplay between Substrate Polarity and Protein Dynamics in Evolved Kemp Eliminases," ChemCatChem, e202400444 (2024). (PDF)

1556. Chloe G. Williams, Sepand K. Nistanaki, Krista Dong, Woojin Lee, Kendall N. Houk, and Hosea M. Nelson: "Main Group-Catalyzed Cationic Claisen Rearrangements via Vinyl Carbocations," Org. Lett., 26, 4847-4852 (2024). (PDF)

1557. Zihuan Fu, Joseph W. Treacy, Brock M. Hosier, K. N. Houk, and Heather D. Maynard: "Controlling Rates and Reversibilities of Elimination Reactions of Hydroxybenzylammoniums by Tuning Dearomatization Energies," Chem. Sci., 27, 10448-10454 (2024). (PDF)

1558. Patrick Commins, Marieh B. Al-Handawi, Caner Deger, Srujana Polavaram, Ilhan Yavuz, Rachid Rezgui, Liang Li, K. N. Houk, and Pance Naumov: "Ferroelastic Control of the Multicolor Emission from a Triply Doped Organic Crystal," J. Am. Chem. Soc., 146, 16540-16548 (2024). (PDF)

1559. Richard J. Monsky, Yuli Li, K. N. Houk, and William R. Dichtel: "Low-Temperature Mineralization of Fluorotelomers with Diverse Polar Head Groups," J. Am. Chem. Soc., 146, 17150-17157 (2024). (PDF)

1560. Pengchen Ma, Dennis Svatunek, Zixi Zhu, Dale L. Boger, Xin-Hua Duan, and K. N. Houk: "Computational Studies of Reactions of 1,2,4,5-Tetrazines with Enamines in MeOH and HFIP," J. Am. Chem. Soc., 146, 187060-18713 (2024). (PDF)

1561. Robert E. Arnold, Jan Saska, Raquel Mesquita-Ribeiro, Federico Dajas-Bailador, Laurence Taylor, William Lewis, Stephen Argent, Huiling Shao, Kendall N. Houk, and Ross M. Denton: "Total Synthesis, Biological Evaluation and Biosynthetic Re-Evaluation of Illicium-derived Neolignang," Chem. Sci., 30, 11783-11793 (2024). (PDF)

1562. Jiajing Luo, Qingyang Zhou, Zhou Xu, K. N. Houk, and Ke Zheng: "Photochemical Skeletal Editing of Pyridines to Bicyclic Pyrazolines and Pyrazoles," J. Am. Chem. Soc., 146, 21389-21400 (2024). (PDF)

1563. Francesca M. Ippoliti, Laura G. Wonilowicz, Nathan J. Adamson, Evan R. Darzi, Joyann S. Donaldson, Daniel J. Nasrallah, Milauni M. Mehta, Andrew V. Kelleghan, K. N. Houk, and Neil K. Garg: "Total Synthesis of Lissodendoric Acid A," Angew. Chem. Int. Ed., 65, e202406676 (2024). (PDF)

1564. Christopher R. Travis, Ryan G. Dumais, Joseph W. Treacy, Kelsey M. Kean, K. N. Houk, and Marcey L. Waters: "Contribution of Electrostatic CH3-pi Interactions to Recognition of Histone Asymmetric Dimethylarginine by the SPIN1 Triple Tudor Domain," J. Am. Chem. Soc., 146, 20678-20684 (2024). (PDF)

1565. Pengchen Ma, Dennis Svatunek, Zixi Zhu, Dale L. Boger, Xin-Hua Duan, and K. N. Houk: "Computational Studies of Reactions of 1,2,4,5-Tetrazines with Enamines in MeOH and HFIP," J. Am. Chem. Soc., 146, 18706-18713 (2024). (PDF)

1566. Liang-Wen Qi, Torben Rogge, K. N. Houk, and Yixin Lu: "Iridium Nitrenoid-Enabled Arene C-H Functionalization," Nature Catal., 7, 934-943 (2024). (PDF)

1567. Tianyu Zheng, Jiawei Ma, Haochi Chen, Hao Jiang, Shuo Lu, Zhuangzhi Shi, Fang Liu, K. N. Houk, and Yong Liang: "Computational Design of Ligands for the Ir-Catalyzed C5-Borylation of Indoles through Tuning Dispersion Interactions," J. Am. Chem. Soc., 146, 25058-25066 (2024). (PDF)

1568. Sara Gutkin, Omri Shelef, Zuzana Babjakova, Laura Anna Tomanova, Matej Babjak, Tal Kopp, Qingyang Zhou, Pengchen Ma, Micha Fridman, Urs Spitz, Kendall N. Houk, and Doron Shabat: "Boosting Chemiexcitation of Phenoxy-1,2-dioxetanes through 7-Norbornyl and Homocubanyl Spirofusion," JACS Au, 4, 3558-3566 (2024). (PDF)

1569. Sanjoy Adak, Naike Ye, Logan A. Calderone, Meng Duan, Wilson Lubeck, Rebecca J. B. Schaffer, April L. Lukowski, K. N. Houk, Marai-Eirini Pandelia, Catherine L. Drennan, and Bradley S. Moore: "A Single Diiron Enzyme Catalyzes the Oxidative Rearrangement of Tryptophan to Indole Nitrile," Nature Chem., Early View Article (2024). (PDF)

1570. Chen Yang, Kendall N. Houk, Yonatan Dubi, and Xuefeng Guo: "Reply to: Questioning Claims of Monitoring the Michael Addition Reaction at the Single-Molecule Level," Nature Chem., 16, 1770-1771 (2024). (PDF)

1571. Christopher R. Travis, Hanne C. Henriksen, Jake R. Wilkinson, Noah K. Schomburg, Joseph W. Treacy, Kelsey M. Kean, K. N. Houk, and Marcey L. Waters: "WDR5 Binding to Histone Serotonylation Is Driven by and Edge-Face Aromatic Interaction with Unexpected Electrostatic Effects," J. Am. Chem. Soc., 146, 27451-27459 (2024). (PDF)

1572. Maya David, Thomas Leirikh, Omri Shelef, Sara Gutkin, Tal Kopp, Qingyang Zhou, Pengchen Ma, Micha Fridman, Kendall N. Houk, and Doron Shabat: "Chemexcitation Acceleration of 1,2-Dioxetanes by Spiro-Fused Six-Member Rings with Electron-Withdrawing Motifs," Angew. Chem. Int. Ed., 63, e202410047 (2024). (PDF)

1573. Indrajit Paul, Krzysztof A. Konieczny, Roberto Chavez, Jing-Ran Shan, Kendall N. Houk, and Miguel A. Garcia-Garibay: "Cascade Photoreaction in Crystals: A Phase Change Caused by a Dewar Benzene Quantum Chain Triggers a Topochemical [2+2] Photodimerization," J. Am. Chem. Soc., 146, 27988-27922 (2024). (PDF)

1574. Grace E. Kunkel, Joseph W. Treacy, Magdalena F. Polite, Hayden R. Montgomery, Evan A. Doud, Kendall N. Houk, Alexander M. Spokoyny, and Heather D. Maynard: "Heteroelechelic Organometallic PEG Reagents Enable Modular Access to Complex Bioconjugates," ACS Macro Lett., 13, 1551-1557 (2024). (PDF)

Articles on Request by Professor K. N. Houk from the American Chemical Society

K. N. Houk and Yi Li: "A Borate Propeller Compound as Chiral Catalyst for an Asymmetrically Induced Diels-Alder Reaction," Chemtracts - Org. Chem., 3: 428-430 (1990).

Yun-Dong Wu and K.N. Houk: "Enantioselective Epoxidation of Unfunctionalized Olefins Catalyzed by (Salen) Manganese Complexes," Chemtracts - Org. Chem., 3: 350-353 (1990).

K. N. Houk and Yi Li: "Double-Stranded Molecules: A[6]Beltene Derivative and the Corresponding Open-Chain Polymer," Chemtracts - Org. Chem., 3: 369-370 (1990).

J. D. Evanseck and K. N. Houk: "Molecular Dynamics Study of a Sodium Octanoate Micelle in Aqueous Solution*, Shape Fluctuations in Ionic Micelles," Chemtracts - Org. Chem., 3: 280-283 (1990).

J. D. Evanseck and K. N. Houk: "Molecular Dynamics Simulation Study of the Fill Energy of Association of 9-Methyladenine and 1-Methylthymine Bases in Water," Chemtracts - Org. Chem., 3: 294-298 (1990).

Yun-Dong Wu and K. N. Houk: "Oxidations by Methyl(trifluoromethyl) dioxirane. Oxyfunctionalization of Saturated Hydrocarbons," Chemtracts - Org. Chem., 3: 159-161 (1990).

B. E. Thomas IV and K. N. Houk: "Solvent Effects on the Anomeric Equilibrium in D-Glucose: A Free Energy Simulation Analysis," Chemtracts - Org. Chem., 4: 210-212 (1991).

Ito Chao and K. N. Houk: "Towards a Molecular Abacus: The Self-Assembly of a Highly Ordered [2] Catenane: A Molecular Shuttle," Chemtracts - Org. Chem., 4: 350-354 (1991).

Yun-Dong Wu and K. N. Houk: "Molecular Dynamics Simulations of the Unfolding of an a-Helical Analogue of Ribonuclease A S-Peptide in Water," Chemtracts - Org. Chem., 4: 370-373 (1991).

K. N. Houk and Yi Li: "Corannulene: A Convenient New Synthesis," Chemtracts - Org. Chem., 4: 401-402 (1991).

O. Wiest and K. N. Houk: "Crystal Structures of the Monofunctional Chorismate Mutase from Bacillius subtilis and Its Complex with a Transition State Analog," Chemtracts - Org. Chem., 7: 45-48 (1994).

Hi-Young Yoo and K. N. Houk: "Claisen Rearrangements of Enol Phosphates," Chemtracts - Org. Chem., 7: 49-51 (1994).

K. N. Houk: "'A Self-Replicating System': New Experimental Data and a New Mechanistic Interpretation; New Evidence for Template Effects in Self-Replicating Molecules," Chemtracts - Org. Chem., 8: 54-56 (1995).

Melissa J. Lucero and K. N. Houk: "High Precision Simultaneous Determination of Multiple Small Kinetic Isotope Effects at Natural Abundance," Chemtracts - Org. Chem., 9: 72-74 (1996).

K. N. Houk and M. Nendel: "Aromaticity and Antiaromaticity in Five-Membered C4H4X Ring Systems: 'Classical' and 'Magnetic' Concepts May Not Be 'Orthogonal,'" Chemtracts - Org. Chem., 9: 118-120 (1996).

K. N. Houk and D. J. Tantillo: "Relaxing Substrate Specificity in Antibody-Catalyzed Reactions: Enantioselective Hydrolysis of N-Cbz-Amino Acid Esters," Chemtracts - Org. Chem., 10: 1039-1041 (1997).

Pablo Davidov and K. N. Houk: "Chirality-Memory Molecule: A D2-Symmetric Fully Substituted Porphyrin as a Conceptually New Chirality Sensor," Chemtracts - Org. Chem., 11: 282-286 (1998).

Nora Green and K. N. Houk: "Structures of Enzymes Involved in Terpenoid Biosynthesis," Chemtracts - Org. Chem., 11: 537-545 (1998).

Xue Wang and K. N. Houk: "The High Sequence Selectivity Observed with a Thymidine Triphosphate Isostere Lacking Watson-Crick Pairing Ability," Chemtracts - Org. Chem., 11: 850-854 (1998).

K. N. Houk and Andrew G. Leach: "The First Optically Active BINOL-BINAP Copolymer Catalyst: Highly Stereoselective Tandem Asymmetric Reactions," Chemtracts - Org. Chem., 13: 633-638 (2000).