IMPROVED TREATMENT OF THRESHOLD CONTRIBUTIONS IN VARIATIONAL TRANSITION-STATE THEORY

被引：720

作者：

GARRETT, BC ^{[1
]}

TRUHLAR, DG ^{[1
]}

GREV, RS ^{[1
]}

MAGNUSON, AW ^{[1
]}

机构：

[1] UNIV MINNESOTA, DEPT CHEM, CHEM DYNAM LAB, MINNEAPOLIS, MN 55455 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1980年 / 84卷 / 13期

关键词：

D O I：

10.1021/j100450a013

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：1730 / 1748

页数：19

共 89 条

[1]

ALTKORN RI, UNPUBLISHED

[2] STATISTICAL-THEORIES OF CHEMICAL REACTIONS - DISTRIBUTIONS IN TRANSITION REGION [J].

ANDERSON, JB .

JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (10) :4684-4692

[3] EXACT QUANTUM-MECHANICAL STUDY OF ISOTOPIC COLLINEAR REACTIVE SYSTEMS H2+CL AND D2+CL [J].

BAER, M .

MOLECULAR PHYSICS, 1974, 27 (05) :1429-1435

[4] COLLINEAR CL + XY SYSTEM (X,Y=H,D,T) - COMPARISON BETWEEN QUANTUM-MECHANICAL, CLASSICAL, AND TRANSITION-STATE THEORY RESULTS [J].

BAER, M ;

HALAVEE, U ;

PERSKY, A .

JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (12) :5122-5131

[5]

Baulch DL, 1974, BER BUNSEN PHYS CHEM, P212

[6] SEMICLASSICAL TRANSITION-STATE THEORY FOR NONSEPARABLE SYSTEMS - APPLICATION TO COLLINEAR H+H2 REACTION [J].

CHAPMAN, S ;

GARRETT, BC ;

MILLER, WH .

JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (06) :2710-2716

[7] A MODEL FOR ADIABATIC REACTIVE MOLECULAR COLLISIONS [J].

CHILD, MS .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1966, 292 (1429) :272-&

[8]

CHILD MS, 1968, DISCUSS FARADAY SOC, V44, P69

[9] REACTION-KINETICS OF GROUND-STATE FLUORINE, F(2P), ATOMS .1. MEASUREMENT OF FLUORINE ATOM CONCENTRATIONS AND RATES OF REACTIONS F + CHF3 AND F + CL2 USING MASS-SPECTROMETRY [J].

CLYNE, MAA ;

MCKENNEY, DJ ;

WALKER, RF .

CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1973, 51 (21) :3596-3604

[10]

DUFF JW, 1975, J CHEM PHYS, V52, P2744

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