VARIATIONAL TRANSITION-STATE THEORY CALCULATIONS FOR AN ATOM-RADICAL REACTION WITH NO SADDLE-POINT - O+OH

被引:165
作者
RAI, SN
TRUHLAR, DG
机构
关键词
D O I
10.1063/1.445787
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
收藏
页码:6046 / 6059
页数:14
相关论文
共 57 条
[1]  
[Anonymous], 1966, GAS PHASE REACTION R
[2]   GAS-PHASE ION-MOLECULE ASSOCIATION REACTIONS - STATISTICAL PHASE-SPACE THEORY APPROACH [J].
BASS, L ;
CHESNAVICH, WJ ;
BOWERS, MT .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (19) :5493-5502
[3]   EVALUATED KINETIC AND PHOTOCHEMICAL DATA FOR ATMOSPHERIC CHEMISTRY .1. CODATA TASK GROUP ON CHEMICAL-KINETICS [J].
BAULCH, DL ;
COX, RA ;
CRUTZEN, PJ ;
HAMPSON, RF ;
KERR, JA ;
TROE, J ;
WATSON, RT .
JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA, 1982, 11 (02) :327-496
[4]   TEMPERATURE-DEPENDENCE OF THE ACTIVATION-ENERGY - D+H-2 [J].
BLAIS, NC ;
TRUHLAR, DG ;
GARRETT, BC .
JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (05) :2768-2770
[5]   QUASI-CLASSICAL TRAJECTORY CALCULATIONS ON THE H + O-2 REACTION [J].
BOTTOMLEY, M ;
BRADLEY, JN ;
GILBERT, JR .
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 1981, 13 (09) :957-975
[6]  
Brauman J. I., 1979, Kinetics of Ion-Molecule Reactions, P153
[7]   MONTE CARLO CALCULATIONS .6. A RE-EVALUATION OF RRKM THEORY OF UNIMOLECULAR REACTION RATES [J].
BUNKER, DL ;
PATTENGILL, M .
JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (02) :772-+
[8]   ACCURACY OF TRANSITION-STATE THEORY FOR THRESHOLD OF CHEMICAL-REACTIONS WITH ACTIVATION-ENERGY - COLLINEAR AND 3-DIMENSIONAL H + H2 [J].
CHAPMAN, S ;
HORNSTEIN, SM ;
MILLER, WH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (04) :892-894
[9]  
Chesnavich W. J., 1979, Kinetics of Ion-Molecule Reactions, P31
[10]   MULTIPLE TRANSITION-STATES IN UNIMOLECULAR REACTIONS - A TRANSITION-STATE SWITCHING MODEL - APPLICATION TO THE C4H8+ SYSTEM [J].
CHESNAVICH, WJ ;
BASS, L ;
SU, T ;
BOWERS, MT .
JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (04) :2228-2246