THERMAL RATE-CONSTANT FOR H+CH3-]CH4 RECOMBINATION - COMPARISON OF QUASICLASSICAL TRAJECTORY AND VARIATIONAL TRANSITION-STATE THEORY

被引：85

作者：

HASE, WL

DUCHOVIC, RJ

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1985年 / 83卷 / 07期

关键词：

D O I：

10.1063/1.449149

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：3448 / 3453

页数：6

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共 34 条

[1] KINETICS OF ION MOLECULE COLLISION COMPLEXES IN THE GAS-PHASE - EXPERIMENT AND THEORY
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[2] REDUCED DIMENSIONALITY QUANTUM RATE CONSTANTS FOR THE D+H-2(V=0) AND D+H-2(V=1) REACTIONS ON THE LSTH SURFACE
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[3] A TIME-RESOLVED TECHNIQUE FOR MEASURING RATES OF ALKYL RADICAL ATOM REACTIONS - THE PRESSURE-DEPENDENCE OF THE CH3+H REACTION AT 504-K
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[J]. CHEMICAL PHYSICS LETTERS, 1985, 113 (05) : 413 - 418
[4] DISSOCIATION POTENTIAL FOR BREAKING A C-H BOND IN METHANE
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[J]. CHEMICAL PHYSICS LETTERS, 1985, 113 (05) : 441 - 446
[5] RATES OF CHEMICAL-REACTIONS DOMINATED BY LONG-RANGE INTERMOLECULAR FORCES
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[J]. MOLECULAR PHYSICS, 1984, 53 (01) : 3 - 21
[6] THE INFLUENCE OF POTENTIAL-ENERGY PARAMETERS ON THE REACTION H+CH3 REVERSIBLE CH4
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[J]. CHEMICAL PHYSICS LETTERS, 1985, 113 (05) : 419 - 424
[7] ANALYTIC-FUNCTION FOR THE H + CH3 REVERSIBLE CH4 POTENTIAL-ENERGY SURFACE
DUCHOVIC, RJ
HASE, WL
SCHLEGEL, HB
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1984, 88 (07) : 1339 - 1347
[8] A DYNAMICAL STUDY OF THE H+CH3-]CH4 RECOMBINATION REACTION
DUCHOVIC, RJ
HASE, WL
[J]. JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (08) : 3599 - 3606
[9] ABINITIO POTENTIAL-ENERGY CURVE FOR CH BOND-DISSOCIATION IN METHANE
DUCHOVIC, RJ
HASE, WL
SCHLEGEL, HB
FRISCH, MJ
RAGHAVACHARI, K
[J]. CHEMICAL PHYSICS LETTERS, 1982, 89 (02) : 120 - 125
[10] SENSITIVITY OF THE H + CH3-]CH4 RECOMBINATION RATE-CONSTANT TO THE SHAPE OF THE C-H STRETCHING POTENTIAL
DUCHOVIC, RJ
HASE, WL
[J]. CHEMICAL PHYSICS LETTERS, 1984, 110 (05) : 474 - 477

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