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
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 ;
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页码:3448 / 3453
页数:6
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[1]   KINETICS OF ION MOLECULE COLLISION COMPLEXES IN THE GAS-PHASE - EXPERIMENT AND THEORY [J].
BOWERS, MT ;
JARROLD, MF ;
WAGNERREDEKER, W ;
KEMPER, PR ;
BASS, LM .
FARADAY DISCUSSIONS, 1983, 75 :57-76
[2]   REDUCED DIMENSIONALITY QUANTUM RATE CONSTANTS FOR THE D+H-2(V=0) AND D+H-2(V=1) REACTIONS ON THE LSTH SURFACE [J].
BOWMAN, JM ;
LEE, KT ;
WALKER, RB .
JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (08) :3742-3745
[3]   A TIME-RESOLVED TECHNIQUE FOR MEASURING RATES OF ALKYL RADICAL ATOM REACTIONS - THE PRESSURE-DEPENDENCE OF THE CH3+H REACTION AT 504-K [J].
BROUARD, M ;
MACPHERSON, MT ;
PILLING, MJ ;
TULLOCH, JM ;
WILLIAMSON, AP .
CHEMICAL PHYSICS LETTERS, 1985, 113 (05) :413-418
[4]   DISSOCIATION POTENTIAL FOR BREAKING A C-H BOND IN METHANE [J].
BROWN, FB ;
TRUHLAR, DG .
CHEMICAL PHYSICS LETTERS, 1985, 113 (05) :441-446
[5]   RATES OF CHEMICAL-REACTIONS DOMINATED BY LONG-RANGE INTERMOLECULAR FORCES [J].
CLARY, DC .
MOLECULAR PHYSICS, 1984, 53 (01) :3-21
[6]   THE INFLUENCE OF POTENTIAL-ENERGY PARAMETERS ON THE REACTION H+CH3 REVERSIBLE CH4 [J].
COBOS, CJ ;
TROE, J .
CHEMICAL PHYSICS LETTERS, 1985, 113 (05) :419-424
[7]   ANALYTIC-FUNCTION FOR THE H + CH3 REVERSIBLE CH4 POTENTIAL-ENERGY SURFACE [J].
DUCHOVIC, RJ ;
HASE, WL ;
SCHLEGEL, HB .
JOURNAL OF PHYSICAL CHEMISTRY, 1984, 88 (07) :1339-1347
[8]   A DYNAMICAL STUDY OF THE H+CH3-]CH4 RECOMBINATION REACTION [J].
DUCHOVIC, RJ ;
HASE, WL .
JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (08) :3599-3606
[9]   ABINITIO POTENTIAL-ENERGY CURVE FOR CH BOND-DISSOCIATION IN METHANE [J].
DUCHOVIC, RJ ;
HASE, WL ;
SCHLEGEL, HB ;
FRISCH, MJ ;
RAGHAVACHARI, K .
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 [J].
DUCHOVIC, RJ ;
HASE, WL .
CHEMICAL PHYSICS LETTERS, 1984, 110 (05) :474-477