Combining quantum mechanical reaction pathways with force field lattice interactions to model a solid-state phototransformation

被引：27

作者：

Keating, AE ^{[1
]}

Shin, SH ^{[1
]}

Houk, KN ^{[1
]}

GarciaGaribay, MA ^{[1
]}

机构：

[1] UNIV CALIF LOS ANGELES,DEPT CHEM & BIOCHEM,LOS ANGELES,CA 90095

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1997年 / 119卷 / 06期

关键词：

D O I：

10.1021/ja962734a

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

[No abstract available]

引用

页码：1474 / 1475

页数：2

共 23 条

[1] A SIMPLE WAY TO PREDICT THE PRODUCTS OF TOPOCHEMICAL PHOTOREACTIONS ON THE BASIS OF FORCE-FIELD CALCULATIONS
ANGERMUND, K
KLOPP, I
KRUGER, C
NOLTE, M
[J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1991, 30 (10): : 1354 - 1356
[2] REACTION SELECTIVITY IN SOLID-STATE PHOTOCHEMISTRY
ARIEL, S
ASKARI, S
EVANS, SV
HWANG, C
JAY, J
SCHEFFER, JR
TROTTER, J
WALSH, L
WONG, YF
[J]. TETRAHEDRON, 1987, 43 (07) : 1253 - 1272
[3] ARIEL S, 1985, ORGANIC PHOTOTRANSFO, P243
[4] An atomistic simulation investigation of the inter-ring torsion in crystalline biphenyl
Corish, J
MortonBlake, DA
ODonoghue, F
Baudour, JL
Beniere, F
Toudic, B
[J]. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1995, 358 : 29 - 38
[5] STEREOSELECTIVITY OF HYDROGEN 1,2-SHIFTS IN SINGLET ALKYLCARBENES - A QUANTITATIVE THEORETICAL ASSESSMENT OF GROUND-STATE ORBITAL ALIGNMENT AND TORSIONAL AND STERIC EFFECTS
EVANSECK, JD
HOUK, KN
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1990, 112 (25) : 9148 - 9156
[6] Frisch M.J., 1995, GAUSSIAN 94
[7] SOLID-STATE C-13 CPMAS NMR AND MOLECULAR MECHANICS STUDY OF CONFORMATIONAL RECOGNITION IN MIXED-CRYSTALS OF 2 PHENYLALKYL KETONES
GARCIAGARIBAY, MA
SHIN, SH
CHAO, I
HOUK, KN
KHAN, SI
[J]. CHEMISTRY OF MATERIALS, 1994, 6 (08) : 1297 - 1306
[8] Gavezzotti A., 1987, ORGANIC SOLID STATE, P391
[9] REACTION-PATH FOLLOWING IN MASS-WEIGHTED INTERNAL COORDINATES
GONZALEZ, C
SCHLEGEL, HB
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1990, 94 (14) : 5523 - 5527
[10] JORGENSEN WL, 1988, ADV CHEM PHYS 2, V70, P469

← 1 2 3 →