SIMULATION OF FREE-ENERGY RELATIONSHIPS AND DYNAMICS OF SN2 REACTIONS IN AQUEOUS-SOLUTION

被引：322

作者：

HWANG, JK ^{[1
]}

KING, G ^{[1
]}

CREIGHTON, S ^{[1
]}

WARSHEL, A ^{[1
]}

机构：

[1] UNIV SO CALIF, DEPT CHEM, LOS ANGELES, CA 90089 USA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1988年 / 110卷 / 16期

关键词：

D O I：

10.1021/ja00224a011

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

收藏

页码：5297 / 5311

页数：15

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共 82 条

[1] CHEMICAL-REACTION DYNAMICS IN LIQUID SOLUTION
ADELMAN, SA
[J]. ADVANCES IN CHEMICAL PHYSICS, 1983, 53 : 61 - 223
[2] ALBERY WJ, 1978, ADV PHYS ORG CHEM, V16, P87
[3] STATISTICAL-THEORIES OF CHEMICAL REACTIONS - DISTRIBUTIONS IN TRANSITION REGION
ANDERSON, JB
[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (10) : 4684 - 4692
[4] [Anonymous], MODERN THEORETICAL C
[5] THEORY OF THE TIME DEVELOPMENT OF THE STOKES SHIFT IN POLAR MEDIA
BAGCHI, B
OXTOBY, DW
FLEMING, GR
[J]. CHEMICAL PHYSICS, 1984, 86 (03) : 257 - 267
[6] BENNETT CH, 1977, ALGORITHMS CHEM COMP
[7] BENSON SW, COMMUNICATION
[8] FRAGMENTS IN MOLECULES - THE DECOMPOSITION OF REACTION SURFACES INTO DIABATIC COMPONENTS IN THE FRAMEWORK OF AN AB-INITIO CI APPROACH
BERNARDI, F
ROBB, MA
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (01) : 54 - 58
[9] Bronsted JN, 1924, Z PHYS CHEM-STOCH VE, V108, P185
[10] STATISTICAL-MECHANICS OF ISOMERIZATION DYNAMICS IN LIQUIDS AND TRANSITION-STATE APPROXIMATION
CHANDLER, D
[J]. JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (06) : 2959 - 2970

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