MOLECULAR-DYNAMICS STUDY OF AN ISOMERIZING DIATOMIC IN A LENNARD-JONES FLUID

被引：132

作者：

STRAUB, JE ^{[1
]}

BORKOVEC, M ^{[1
]}

BERNE, BJ ^{[1
]}

机构：

[1] COLUMBIA UNIV,NEW YORK,NY 10027

来源：

JOURNAL OF CHEMICAL PHYSICS | 1988年 / 89卷 / 08期

关键词：

D O I：

10.1063/1.455678

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

页码：4833 / 4847

页数：15

共 69 条

[51] NUMERICAL-SIMULATION OF RATE CONSTANTS FOR A 2-DEGREE OF FREEDOM SYSTEM IN THE WEAK COLLISION LIMIT
STRAUB, JE
BORKOVEC, M
BERNE, BJ
[J]. JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (07) : 4296 - 4297
[52] NON-MARKOVIAN ACTIVATED RATE-PROCESSES - COMPARISON OF CURRENT THEORIES WITH NUMERICAL-SIMULATION DATA
STRAUB, JE
BORKOVEC, M
BERNE, BJ
[J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (03) : 1788 - 1794
[53] SHORTCOMINGS OF CURRENT THEORIES OF NON-MARKOVIAN ACTIVATED RATE-PROCESSES
STRAUB, JE
BORKOVEC, M
BERNE, BJ
[J]. JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (06) : 3172 - 3174
[54] CALCULATION OF DYNAMIC FRICTION ON INTRAMOLECULAR DEGREES OF FREEDOM
STRAUB, JE
BORKOVEC, M
BERNE, BJ
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (19) : 4995 - 4998
[55] A RAPID METHOD FOR DETERMINING RATE CONSTANTS BY MOLECULAR-DYNAMICS
STRAUB, JE
BERNE, BJ
[J]. JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (03) : 1138 - 1139
[56] ENERGY DIFFUSION IN MANY-DIMENSIONAL MARKOVIAN SYSTEMS - THE CONSEQUENCES OF COMPETITION BETWEEN INTERMOLECULAR AND INTRAMOLECULAR VIBRATIONAL-ENERGY TRANSFER
STRAUB, JE
BERNE, BJ
[J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (05) : 2999 - 3006
[57] STRAUB JE, 1986, J CHEM PHYS, V86, P1079
[58] SWOPE WC, 1980, J CHEM PHYS, V72, P4350
[59] TRANSITION RATES OF A NON-MARKOVIAN BROWNIAN PARTICLE IN A DOUBLE WELL POTENTIAL
TALKNER, P
BRAUN, HB
[J]. JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (12) : 7537 - 7549
[60] ATOM AND RADICAL RECOMBINATION REACTIONS
TROE, J
[J]. ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1978, 29 : 223 - 250

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