QUASICLASSICAL TRAJECTORY STUDIES OF THE H+H2 REACTION ON AN ACCURATE POTENTIAL-ENERGY SURFACE .2. EFFECT OF INITIAL VIBRATION AND ROTATION ON REACTIVITY

被引:70
作者
BARG, GD [1 ]
MAYNE, HR [1 ]
TOENNIES, JP [1 ]
机构
[1] MAX PLANCK INST STROMUNGSFORSCH,D-3400 GOTTINGEN,FED REP GER
关键词
D O I
10.1063/1.441234
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:1017 / 1025
页数:9
相关论文
共 32 条
[11]   EXCHANGE REACTIONS WITH ACTIVATION ENERGY .I. SIMPLE BARRIER POTENTIAL FOR (H,H2) [J].
KARPLUS, M ;
SHARMA, RD .
JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (09) :3259-&
[12]  
KARPLUS M, 1970, MOL BEAMS REACTION K
[13]  
KELLERHALS GE, 1976, J CHEM PHYS, V64, P816
[14]   AB-INITIO POTENTIAL-ENERGY SURFACE FOR LINEAR H-3 [J].
LIU, B .
JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (05) :1925-1937
[15]   QUASICLASSICAL TRAJECTORY STUDIES OF H+H-2 ON AN ACCURATE POTENTIAL-ENERGY SURFACE .1. ISOTOPE EFFECTS [J].
MAYNE, HR .
JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (01) :217-225
[16]   QUASICLASSICAL CROSS-SECTIONS FOR THE H+H2(O,O)-]H+H2 REACTION - COMPARISON OF THE SIEGBAHN-LIU-TRUHLAR-HOROWITZ AND THE PORTER-KARPLUS POTENTIAL SURFACES [J].
MAYNE, HR ;
TOENNIES, JP .
JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (11) :5314-5315
[17]  
MAYNE HR, UNPUBLISHED
[18]  
MAYNE HR, 1979, CHEM PHYS LETT, V66, P487
[19]   EXCHANGE-REACTION H-2 (UPSILON=1)+H=H+H2 [J].
OSHEROV, VI ;
USHAKOV, VG ;
LOMAKIN, LA .
CHEMICAL PHYSICS LETTERS, 1978, 55 (03) :513-514
[20]  
Porter R. N., 1976, DYNAMICS MOL COLLI B, P1