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Results: 1-10 |
Results: 10
Polyacene and cyclacene geometries and electronic structures: Bond equalization, vanishing band gaps, and triplet ground states contrast with polyacetylene
Authors: Houk, KN Lee, PS Nendel, M
Citation: Kn. Houk et al., Polyacene and cyclacene geometries and electronic structures: Bond equalization, vanishing band gaps, and triplet ground states contrast with polyacetylene, J ORG CHEM, 66(16), 2001, pp. 5517-5521
Computational explorations of vinylcyclopropane-cyclopentene rearrangements and competing diradical stereoisomerizations
Authors: Nendel, M Sperling, D Wiest, O Houk, KN
Citation: M. Nendel et al., Computational explorations of vinylcyclopropane-cyclopentene rearrangements and competing diradical stereoisomerizations, J ORG CHEM, 65(11), 2000, pp. 3259-3268
Bis-periazulene: a simple Kekule biradical with a triplet ground state
Authors: Nendel, M Goldfuss, B Houk, KN Hafner, K Grieser, U
Citation: M. Nendel et al., Bis-periazulene: a simple Kekule biradical with a triplet ground state, THEOR CH AC, 102(1-6), 1999, pp. 397-400
s-Indacene, a quasi-delocalized molecule with mixed aromatic and anti-aromatic character
Authors: Nendel, M Goldfuss, B Houk, KN Hafner, K
Citation: M. Nendel et al., s-Indacene, a quasi-delocalized molecule with mixed aromatic and anti-aromatic character, THEOCHEM, 462, 1999, pp. 23-28
Theoretical studies of novel aromatic molecules and transition states
Authors: Nendel, M Goldfuss, B Beno, B Houk, KN Hafner, K Lindner, HJ
Citation: M. Nendel et al., Theoretical studies of novel aromatic molecules and transition states, PUR A CHEM, 71(2), 1999, pp. 221-229
Strained allenes as dienophiles in the Diels-Alder reaction: An experimental and computational study
Authors: Nendel, M Tolbert, LM Herring, LE Islam, MN Houk, KN
Citation: M. Nendel et al., Strained allenes as dienophiles in the Diels-Alder reaction: An experimental and computational study, J ORG CHEM, 64(3), 1999, pp. 976-983
Origin of the preference for the orbital symmetry forbidden stereochemistyof the 1,5-sigmatropic shift of substituted norcaradienes (vol 121, pg 4524, 1999)
Authors: Kless, A Nendel, M Wilsey, S Houk, KN
Citation: A. Kless et al., Origin of the preference for the orbital symmetry forbidden stereochemistyof the 1,5-sigmatropic shift of substituted norcaradienes (vol 121, pg 4524, 1999), J AM CHEM S, 121(31), 1999, pp. 7278-7278
Direct dynamics quasiclassical trajectory study of the stereochemistry of the vinylcyclopropane-cyclopentene rearrangement
Authors: Doubleday, C Nendel, M Houk, KN Thweatt, D Page, M
Citation: C. Doubleday et al., Direct dynamics quasiclassical trajectory study of the stereochemistry of the vinylcyclopropane-cyclopentene rearrangement, J AM CHEM S, 121(19), 1999, pp. 4720-4721
Origin of the preference for the orbital symmetry forbidden stereochemistry of the 1,5-sigmatropic shift of substituted norcaradienes
Authors: Kless, A Nendel, M Wilsey, S Houk, KN
Citation: A. Kless et al., Origin of the preference for the orbital symmetry forbidden stereochemistry of the 1,5-sigmatropic shift of substituted norcaradienes, J AM CHEM S, 121(18), 1999, pp. 4524-4525
Retro-cycloadditions and sigmatropic shifts: The C7H8 and C7H10 potential energy surfaces
Authors: Houk, KN Wilsey, SL Beno, BR Kless, A Nendel, M Tian, J
Citation: Kn. Houk et al., Retro-cycloadditions and sigmatropic shifts: The C7H8 and C7H10 potential energy surfaces, PUR A CHEM, 70(10), 1998, pp. 1947-1952
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