|
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, 4263 (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
|
