ACCURACY OF TUNNELING CORRECTIONS TO TRANSITION-STATE THEORY FOR THERMAL RATE CONSTANTS OF ATOM TRANSFER-REACTIONS

被引：141

作者：

GARRETT, BC ^{[1
]}

TRUHLAR, DG ^{[1
]}

机构：

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

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1979年 / 83卷 / 01期

关键词：

D O I：

10.1021/j100464a026

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：200 / 203

页数：4

相关论文

共 25 条

[1] EXACT QUANTUM-MECHANICAL STUDY OF ISOTOPIC COLLINEAR REACTIVE SYSTEMS H2+CL AND D2+CL
BAER, M
[J]. MOLECULAR PHYSICS, 1974, 27 (05) : 1429 - 1435
[2] COLLINEAR CL + XY SYSTEM (X,Y=H,D,T) - COMPARISON BETWEEN QUANTUM-MECHANICAL, CLASSICAL, AND TRANSITION-STATE THEORY RESULTS
BAER, M
HALAVEE, U
PERSKY, A
[J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (12) : 5122 - 5131
[3] THE TUNNEL EFFECT CORRECTION FOR PARABOLIC POTENTIAL BARRIERS
BELL, RP
[J]. TRANSACTIONS OF THE FARADAY SOCIETY, 1959, 55 (01): : 1 - 4
[4] SEMICLASSICAL TRANSITION-STATE THEORY FOR NONSEPARABLE SYSTEMS - APPLICATION TO COLLINEAR H+H2 REACTION
CHAPMAN, S
GARRETT, BC
MILLER, WH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (06) : 2710 - 2716
[5] Johnston H. S., 1966, GAS PHASE REACTION R, P133
[6] NEW TUNNELING PATH FOR REACTIONS SUCH AS H+H2-]H2+H
MARCUS, RA
COLTRIN, ME
[J]. JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (06) : 2609 - 2613
[7] ON THEORY OF CHEMICAL-REACTION CROSS SECTIONS .2. APPLICATION TO H+ H2 REACTION
MARCUS, RA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (03) : 959 - &
[8] ON ANALYTICAL MECHANICS OF CHEMICAL REACTIONS . QUANTUM MECHANICS OF LINEAR COLLISIONS
MARCUS, RA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (12) : 4493 - +
[9] LOCAL APPROXIMATION OF POTENTIAL-ENERGY SURFACES BY SURFACES PERMITTING SEPARATION OF VARIABLES
MARCUS, RA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (03) : 610 - &
[10] MARCUS RA, 1974, TECHNIQUES CHEM, V6, P13