TEST OF VARIATIONAL TRANSITION-STATE THEORY WITH A LARGE-CURVATURE TUNNELING APPROXIMATION AGAINST ACCURATE QUANTAL REACTION PROBABILITIES AND RATE COEFFICIENTS FOR 3 COLLINEAR REACTIONS WITH LARGE REACTION-PATH CURVATURE - CL+HCL,CL+DCL, AND CL+MUCL

被引：128

作者：

BONDI, DK

CONNOR, JNL

GARRETT, BC

TRUHLAR, DG

机构：

[1] UNIV MANCHESTER, DEPT CHEM, MANCHESTER M13 9PL, LANCS, ENGLAND

[2] UNIV MINNESOTA, DEPT CHEM, MINNEAPOLIS, MN 55455 USA

[3] CHEM DYNAM CORP, COLUMBUS, OH 43220 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1983年 / 78卷 / 10期

关键词：

D O I：

10.1063/1.444613

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：5981 / 5989

页数：9

共 47 条

[1] DYNAMICS OF HYDROGEN-ATOM AND PROTON-TRANSFER REACTIONS - SYMMETRIC CASE
BABAMOV, VK
MARCUS, RA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (03) : 1790 - 1798
[2] COLLINEAR QUANTUM-MECHANICAL TREATMENT OF HEAVY-LIGHT-HEAVY MASS COMBINATION - CL+HBR-]HCL+BR
BAER, M
[J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (01) : 305 - 306
[3] A NEW NUMERICAL-METHOD FOR COLLINEAR QUANTUM REACTIVE SCATTERING USING DELVES COORDINATES - APPLICATION TO THE H+H-2(NLESS-THAN-OR-EQUAL-TO7)-]H-2(MLESS-THAN-OR-EQUAL-TO7)+H CHEMICAL-REACTION
BONDI, DK
CONNOR, JNL
[J]. CHEMICAL PHYSICS LETTERS, 1982, 92 (06) : 570 - 573
[4] BONDI DK, UNPUB
[5] COMPARISON OF VARIATIONAL TRANSITION-STATE THEORY AND QUANTUM SUDDEN CALCULATIONS OF 3-DIMENSIONAL RATE COEFFICIENTS FOR THE REACTIONS D(H)+BRH-]DBR(HBR)+H
CLARY, DC
GARRETT, BC
TRUHLAR, DG
[J]. JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (02) : 777 - 782
[6] REACTIVE MOLECULAR COLLISION CALCULATIONS
CONNOR, JNL
[J]. COMPUTER PHYSICS COMMUNICATIONS, 1979, 17 (1-2) : 117 - 143
[7] Garrett B. C., 1981, POTENTIAL ENERGY SUR, P587
[8] VARIATIONAL TRANSITION-STATE THEORY AND TUNNELING FOR A HEAVY LIGHT HEAVY REACTION USING AN ABINITIO POTENTIAL-ENERGY SURFACE - CL-37+H(D) CL-35-]H(D) CL-37+CL-35
GARRETT, BC
TRUHLAR, DG
WAGNER, AF
DUNNING, TH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (07) : 4400 - 4413
[9] ACCURACY OF TUNNELING CORRECTIONS TO TRANSITION-STATE THEORY FOR THERMAL RATE CONSTANTS OF ATOM TRANSFER-REACTIONS
GARRETT, BC
TRUHLAR, DG
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1979, 83 (01) : 200 - 203
[10] GARRETT BC, 1979, J PHYS CHEM-US, V83, P3058, DOI 10.1021/j100486a600

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