COMBINING TRANSITION-STATE CALCULATIONS WITH QUASI-CLASSICAL TRAJECTORY CALCULATIONS .2. COLLINEAR COLLISIONS INVOLVING VIBRATIONALLY EXCITED REAGENTS

被引:18
作者
FROST, RJ
SMITH, IWM
机构
关键词
D O I
10.1016/0301-0104(87)85082-6
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:389 / 400
页数:12
相关论文
共 45 条
[21]   QUANTUM-MECHANICAL TRANSITION-STATE THEORY AND A NEW SEMICLASSICAL MODEL FOR REACTION-RATE CONSTANTS [J].
MILLER, WH .
JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (05) :1823-1834
[22]   SEMICLASSICAL LIMIT OF QUANTUM-MECHANICAL TRANSITION-STATE THEORY FOR NONSEPARABLE SYSTEMS [J].
MILLER, WH .
JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (05) :1899-1906
[23]   PATH INTEGRAL-REPRESENTATION OF REACTION-RATE CONSTANT IN QUANTUM-MECHANICAL TRANSITION-STATE THEORY [J].
MILLER, WH .
JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (03) :1166-1172
[24]   IMPORTANCE OF NONSEPARABILITY IN QUANTUM-MECHANICAL TRANSITION-STATE THEORY [J].
MILLER, WH .
ACCOUNTS OF CHEMICAL RESEARCH, 1976, 9 (08) :306-312
[25]   TRANSITION-STATE THEORY [J].
PECHUKAS, P .
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1981, 32 :159-177
[26]   TRAPPED TRAJECTORIES AT BOUNDARY OF REACTIVITY BANDS IN MOLECULAR-COLLISIONS [J].
PECHUKAS, P ;
POLLAK, E .
JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (12) :5976-5977
[27]   TRANSITION-STATE THEORY AND CLASSICAL MECHANICS OF COLLINEAR COLLISIONS [J].
PECHUKAS, P ;
MCLAFFERTY, FJ .
JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (04) :1622-1625
[28]  
Pechukas P., 1976, DYNAMICS MOL COLLI B
[29]   SOME CONCEPTS IN REACTION DYNAMICS [J].
POLANYI, JC .
ACCOUNTS OF CHEMICAL RESEARCH, 1972, 5 (05) :161-&
[30]  
POLANYI JC, 1977, FARADAY DISCUSS, V62, P267