COMBINING TRANSITION-STATE THEORY WITH QUASI-CLASSICAL TRAJECTORY CALCULATIONS - APPLICATION TO THE NITROGEN EXCHANGE-REACTION N+N2(NU) .4.

被引:24
作者
FROST, RJ
SMITH, IWM
机构
关键词
D O I
10.1016/0009-2614(87)80476-1
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
收藏
页码:499 / 505
页数:7
相关论文
共 16 条
[1]  
CACCIATORE M, 1986, TOP CURR PHYS, V39, P5
[2]   IMPORTANCE SAMPLING AND HISTOGRAMMIC REPRESENTATIONS OF REACTIVITY FUNCTIONS AND PRODUCT DISTRIBUTIONS IN MONTE-CARLO QUASICLASSICAL TRAJECTORY CALCULATIONS [J].
FAIST, MB ;
MUCKERMAN, JT ;
SCHUBERT, FE .
JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (09) :4087-4096
[3]   COMBINING TRANSITION-STATE CALCULATIONS WITH QUASI-CLASSICAL TRAJECTORY CALCULATIONS .2. COLLINEAR COLLISIONS INVOLVING VIBRATIONALLY EXCITED REAGENTS [J].
FROST, RJ ;
SMITH, IWM .
CHEMICAL PHYSICS, 1987, 111 (03) :389-400
[4]  
FROST RJ, 1987, IN PRESS CHEM PHYS
[5]  
GOLUBOVSKII YB, 1984, HIGH TEMP+, V22, P340
[6]   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-&
[7]   DEACTIVATION OF VIBRATIONALLY EXCITED NITROGEN MOLECULES BY COLLISION WITH NITROGEN-ATOMS [J].
LAGANA, A ;
GARCIA, E ;
CICCARELLI, L .
JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (02) :312-314
[9]   QUASICLASSICAL TRAJECTORY STUDIES OF THE H+H-2 REACTION ON AN ACCURATE POTENTIAL-ENERGY SURFACE .3. COMPARISON OF RATE CONSTANTS AND CROSS-SECTIONS WITH EXPERIMENT [J].
MAYNE, HR ;
TOENNIES, JP .
JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (04) :1794-1803
[10]   RATE CONSTANTS FROM MONTE-CARLO QUASI-CLASSICAL TRAJECTORY CALCULATIONS - PROCEDURE FOR IMPORTANCE SAMPLING [J].
MUCKERMAN, JT ;
FAIST, MB .
JOURNAL OF PHYSICAL CHEMISTRY, 1979, 83 (01) :79-88