THERMAL AND STATE-SELECTED RATE-CONSTANT CALCULATIONS FOR O(P-3) + H-2-] OH + H AND ISOTOPIC ANALOGS

被引：59

作者：

GARRETT, BC ^{[1
]}

TRUHLAR, DG ^{[1
]}

机构：

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

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1986年 / 29卷 / 05期

关键词：

D O I：

10.1002/qua.560290538

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：1463 / 1482

页数：20

共 73 条

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[13] DUBINSKY RN, 1975, CAN J CHEM, V53, P3531, DOI 10.1139/v75-508
[14] DUNNING TH, 1981, POTENTIAL ENERGY SUR, P329
[15] Garrett B. C., 1981, POTENTIAL ENERGY SUR, P587
[16] IMPORTANCE OF QUARTIC ANHARMONICITY FOR BENDING PARTITION-FUNCTIONS IN TRANSITION-STATE THEORY
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[17] GENERALIZED TRANSITION-STATE THEORY CALCULATIONS FOR THE REACTIONS D+H2 AND H+D2 USING AN ACCURATE POTENTIAL-ENERGY SURFACE - EXPLANATION OF THE KINETIC ISOTOPE EFFECT
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (06) : 3460 - 3471
[18] A LEAST-ACTION VARIATIONAL METHOD FOR CALCULATING MULTIDIMENSIONAL TUNNELING PROBABILITIES FOR CHEMICAL-REACTIONS
GARRETT, BC
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (10) : 4931 - 4938
[19] 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
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (07) : 4400 - 4413
[20] GARRETT BC, 1979, J PHYS CHEM-US, V83, P3058, DOI 10.1021/j100486a600

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