PROPERTIES OF VARIATIONAL TRANSITION-STATES FOR ASSOCIATION REACTIONS

被引:41
作者
HASE, WL
机构
关键词
D O I
10.1016/0009-2614(87)80579-1
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:389 / 394
页数:6
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共 34 条
[1]   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
[2]   MULTIPLE TRANSITION-STATES IN UNIMOLECULAR REACTIONS [J].
CHESNAVICH, WJ .
JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (05) :2615-2619
[3]   COLLISIONS IN A NON-CENTRAL FIELD - VARIATIONAL AND TRAJECTORY INVESTIGATION OF ION-DIPOLE CAPTURE [J].
CHESNAVICH, WJ ;
SU, T ;
BOWERS, MT .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (04) :2641-2655
[4]   STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .1. ENERGY SURFACE OF A WATER MOLECULE IN FIELD OF A LITHIUM POSITIVE-ION [J].
CLEMENTI, E ;
POPKIE, H .
JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (03) :1077-&
[5]   ABINITIO CALCULATIONS OF THE INTERACTION OF IONS WITH NEUTRAL LIGANDS - PAIR POTENTIALS FOR LI+-ETHER-SYSTEMS, LI+-THIOETHER-SYSTEMS, AND LI+-AMIDE-SYSTEMS [J].
CORONGIU, G ;
CLEMENTI, E ;
PRETSCH, E ;
SIMON, W .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (05) :3096-3102
[6]   FURTHER THEORETICAL-EXAMINATION OF THE F+H-2 ENTRANCE CHANNEL BARRIER [J].
FRISCH, MJ ;
LIU, B ;
BINKLEY, JS ;
SCHAEFER, HF ;
MILLER, WH .
CHEMICAL PHYSICS LETTERS, 1985, 114 (01) :1-5
[7]  
GELLERT W, 1975, VNR CONCISE ENCY MAT
[8]  
HARDING L, UNPUB
[10]   THERMAL RATE-CONSTANT FOR H+CH3-]CH4 RECOMBINATION - COMPARISON OF QUASICLASSICAL TRAJECTORY AND VARIATIONAL TRANSITION-STATE THEORY [J].
HASE, WL ;
DUCHOVIC, RJ .
JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (07) :3448-3453