HIGH-PRESSURE RATE CONSTANTS FOR UNIMOLECULAR DISSOCIATION FREE-RADICAL RECOMBINATION - DETERMINATION OF THE QUANTUM CORRECTION VIA QUANTUM MONTE-CARLO PATH INTEGRATION

被引：112

作者：

KLIPPENSTEIN, SJ

MARCUS, RA

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1987年 / 87卷 / 06期

关键词：

D O I：

10.1063/1.452985

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：3410 / 3417

页数：8

共 55 条

[1] VIBRATIONAL PREDISSOCIATION OF AR.BCL3 - A MONTE-CARLO-RRKM STUDY [J].

ADAMS, JE .

JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (03) :1275-1280

[2]

Barker JA, 1963, LATTICE THEORIES LIQ

[3]

Benson S.W., 1976, THERMOCHEMICAL KINET, Vsecond

[4] SUM AND DENSITY OF STATES FOR ANHARMONIC POLYATOMIC-MOLECULES - EFFECT OF BEND-STRETCH COUPLING [J].

BHUIYAN, LB ;

HASE, WL .

JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (08) :5052-5058

[5] THEORY OF THERMAL UNIMOLECULAR REACTIONS AT HIGH-PRESSURES .2. ANALYSIS OF EXPERIMENTAL RESULTS [J].

COBOS, CJ ;

TROE, J .

JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (03) :1010-1015

[6] THE INFLUENCE OF POTENTIAL-ENERGY PARAMETERS ON THE REACTION H+CH3 REVERSIBLE CH4 [J].

COBOS, CJ ;

TROE, J .

CHEMICAL PHYSICS LETTERS, 1985, 113 (05) :419-424

[7]

COBOS CJ, 1986, J PHYS CHEM-US, V90, P3485

[8] SEMI-CLASSICAL MONTE-CARLO METHODS [J].

DOLL, JD ;

MYERS, LE .

JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (07) :2880-2883

[9] ANHARMONIC CORRECTIONS IN UNIMOLECULAR THEORY - A MONTE-CARLO APPROACH [J].

DOLL, JD .

CHEMICAL PHYSICS LETTERS, 1980, 72 (01) :139-142

[10] MONTE-CARLO FOURIER PATH INTEGRAL METHODS IN CHEMICAL-DYNAMICS [J].

DOLL, JD .

JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (08) :3536-3541

← 1 2 3 4 5 6 →