SIMPLIFIED STATISTICAL ADIABATIC CHANNEL MODEL-CALCULATIONS OF THE REACTION H+CH3-]CH4 ON ABINITIO POTENTIAL-ENERGY SURFACES

被引：32

作者：

COBOS, CJ

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1986年 / 85卷 / 10期

关键词：

D O I：

10.1063/1.451577

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：5644 / 5651

页数：8

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[1] CANONICAL STATISTICAL ADIABATIC CHANNEL MODEL-CALCULATIONS OF THE H+CH3-]CH4 RECOMBINATION REACTION ON AN ABINITIO POTENTIAL-ENERGY SURFACE - THE ROLE OF THE TRANSITIONAL MODES
COBOS, CJ
[J]. INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 1989, 21 (03) : 165 - 174
[2] INFLUENCE OF THE ESSENTIAL FEATURES OF THE POTENTIAL-ENERGY SURFACE ON THE TEMPERATURE-DEPENDENCE OF THE H+CH3-]CH4 REACTION
COBOS, CJ
[J]. REACTION KINETICS AND CATALYSIS LETTERS, 1991, 44 (01): : 153 - 157
[3] POTENTIAL-ENERGY SURFACES FOR REACTION CH2+H2-]CH4
MURRELL, JN
PEDLEY, JB
DURMAZ, S
[J]. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1973, 69 (09): : 1370 - 1380
[4] AN ABINITIO POTENTIAL-ENERGY SURFACE FOR THE REACTION CH4-]CH3 + H
HIRST, DM
[J]. CHEMICAL PHYSICS LETTERS, 1985, 122 (03) : 225 - 229
[5] A DYNAMICAL STUDY OF THE H+CH3-]CH4 RECOMBINATION REACTION
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HASE, WL
[J]. JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (08): : 3599 - 3606
[6] THE INFLUENCE OF POTENTIAL-ENERGY PARAMETERS ON THE REACTION H+CH3 REVERSIBLE CH4
COBOS, CJ
TROE, J
[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] VALENCE-BOND CALCULATIONS OF THE POTENTIAL-ENERGY SURFACE FOR CH4-]CH3+H
WU, W
MCWEENY, R
[J]. JOURNAL OF CHEMICAL PHYSICS, 1994, 101 (06): : 4826 - 4831
[9] CLASSICAL TRAJECTORIES USING FULL ABINITIO POTENTIAL-ENERGY SURFACE H-+CH4-]CH4+H-
LEFORESTIER, C
[J]. JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (10): : 4406 - 4410
[10] Statistical Adiabatic Channel Model Calculations of the Reaction of H Atoms and FO Radicals on Ab Initio Potential Energy Surfaces
C.J. Cobos
[J]. Reaction Kinetics and Catalysis Letters, 2000, 69 : 379 - 384

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