A RAPID METHOD FOR DETERMINING RATE CONSTANTS BY MOLECULAR-DYNAMICS

被引：60

作者：

STRAUB, JE

BERNE, BJ

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1985年 / 83卷 / 03期

关键词：

D O I：

10.1063/1.449476

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

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页码：1138 / 1139

页数：2

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[1] ADAMS J., PREPRINT
[2] [Anonymous], 1967, ADV CHEM PHYS, DOI 10.1002/9780470140154.ch5
[3] Berne B. J., 1985, MULTIPLE TIME SCALES
[4] STATISTICAL-MECHANICS OF ISOMERIZATION DYNAMICS IN LIQUIDS AND TRANSITION-STATE APPROXIMATION
CHANDLER, D
[J]. JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (06) : 2959 - 2970
[5] Keck J., 1962, DISCUSS FARADAY SOC, V33, P173
[6] TRAJECTORY ANALYSIS OF A KINETIC-THEORY FOR ISOMERIZATION DYNAMICS IN CONDENSED PHASES
MONTGOMERY, JA
CHANDLER, D
BERNE, BJ
[J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (09) : 4056 - 4066
[7] MOLECULAR-DYNAMICS AND MONTE-CARLO STUDY OF SOLVENT EFFECTS ON THE CONFORMATIONAL EQUILIBRIUM OF N-BUTANE IN CCL4
REBERTUS, DW
BERNE, BJ
CHANDLER, D
[J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (07) : 3395 - 3400
[8] ISOMERIZATION DYNAMICS IN LIQUIDS BY MOLECULAR-DYNAMICS
ROSENBERG, RO
BERNE, BJ
CHANDLER, D
[J]. CHEMICAL PHYSICS LETTERS, 1980, 75 (01) : 162 - 168
[9] HYDROPHOBIC EFFECT ON CHAIN FOLDING - THE TRANS TO GAUCHE ISOMERIZATION OF NORMAL-BUTANE IN WATER
ROSENBERG, RO
MIKKILINENI, R
BERNE, BJ
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1982, 104 (26) : 7647 - 7649
[10] VALLEAU JP, 1977, STATISTICAL MECHAN A, P137