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

被引：324

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

页码：5297 / 5311

页数：15

共 82 条

[1] CHEMICAL-REACTION DYNAMICS IN LIQUID SOLUTION [J].

ADELMAN, SA .

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 [J].

ANDERSON, JB .

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 [J].

BAGCHI, B ;

OXTOBY, DW ;

FLEMING, GR .

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 [J].

BERNARDI, F ;

ROBB, MA .

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 [J].

CHANDLER, D .

JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (06) :2959-2970

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