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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[6] 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
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[7] KINETIC ISOTOPE EFFECTS IN THE MU+H2 AND MU+D2 REACTIONS - ACCURATE QUANTUM CALCULATIONS FOR THE COLLINEAR REACTIONS AND VARIATIONAL TRANSITION-STATE THEORY PREDICTIONS FOR ONE AND 3 DIMENSIONS
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[8] REACTION DYNAMICS FOR O(P-3) + H-2 AND D2 .4. REDUCED DIMENSIONALITY QUANTUM AND QUASICLASSICAL RATE CONSTANTS WITH AN ADIABATIC INCORPORATION OF THE BENDING MOTION
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (04) : 1739 - 1752
[9] AN IMPROVED POTENTIAL-ENERGY SURFACE FOR F+H2-]HF+H AND H+H'F-]HF+H'
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (01) : 188 - 201
[10] CAMPBELL IM, 1976, J CHEM SOC T1, V74, P316

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