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 [J].

STRAUB, JE ;

BORKOVEC, M ;

BERNE, BJ .

JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (07) :4296-4297

[52] NON-MARKOVIAN ACTIVATED RATE-PROCESSES - COMPARISON OF CURRENT THEORIES WITH NUMERICAL-SIMULATION DATA [J].

STRAUB, JE ;

BORKOVEC, M ;

BERNE, BJ .

JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (03) :1788-1794

[53] SHORTCOMINGS OF CURRENT THEORIES OF NON-MARKOVIAN ACTIVATED RATE-PROCESSES [J].

STRAUB, JE ;

BORKOVEC, M ;

BERNE, BJ .

JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (06) :3172-3174

[54] CALCULATION OF DYNAMIC FRICTION ON INTRAMOLECULAR DEGREES OF FREEDOM [J].

STRAUB, JE ;

BORKOVEC, M ;

BERNE, BJ .

JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (19) :4995-4998

[55] A RAPID METHOD FOR DETERMINING RATE CONSTANTS BY MOLECULAR-DYNAMICS [J].

STRAUB, JE ;

BERNE, BJ .

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 [J].

STRAUB, JE ;

BERNE, BJ .

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 [J].

TALKNER, P ;

BRAUN, HB .

JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (12) :7537-7549

[60] ATOM AND RADICAL RECOMBINATION REACTIONS [J].

TROE, J .

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1978, 29 :223-250

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