QUASICLASSICAL TRAJECTORY STUDY OF THE REACTION O(3P)+H2-]OH+H - THE EFFECTS OF THE LOCATION OF THE POTENTIAL-ENERGY BARRIER, VIBRATIONAL-EXCITATION AND ISOTOPIC-SUBSTITUTION ON THE DYNAMICS

被引:41
作者
BROIDA, M
PERSKY, A
机构
关键词
D O I
10.1063/1.447191
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:3687 / 3695
页数:9
相关论文
共 33 条
[22]   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
[23]   QUASICLASSICAL TRAJECTORY STUDIES OF THE CHLORINE-HYDROGEN SYSTEM .4. THE EFFECT OF REAGENT VIBRATIONAL-EXCITATION AND OF THE LOCATION OF THE POTENTIAL-ENERGY BARRIER ON THE DYNAMICS [J].
PERSKY, A ;
RUBIN, R ;
BROIDA, M .
JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (07) :3279-3291
[24]   QUASICLASSICAL TRAJECTORY STUDIES OF CHLORINE-HYDROGEN SYSTEM .2. CL+D2-]DCL+D [J].
PERSKY, A .
JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (05) :2411-2418
[25]   QUASICLASSICAL TRAJECTORY STUDIES OF CHLORINE-HYDROGEN SYSTEM .1. CL+H2-]HCL+H [J].
PERSKY, A .
JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (07) :2932-2942
[26]   QUASICLASSICAL TRAJECTORY STUDIES OF THE CHLORINE HYDROGEN SYSTEM .3. BRANCHING RATIO, ENERGY PARTITIONING, AND ANGULAR-DISTRIBUTION IN THE REACTION OF CL ATOMS WITH HD [J].
PERSKY, A .
JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (08) :3910-3919
[27]   REACTION OF F+H2-]HF+H - CASE-STUDY IN REACTION DYNAMICS [J].
POLANYI, JC ;
SCHREIBER, JL .
FARADAY DISCUSSIONS, 1977, 62 :267-289
[28]   SOME CONCEPTS IN REACTION DYNAMICS [J].
POLANYI, JC .
ACCOUNTS OF CHEMICAL RESEARCH, 1972, 5 (05) :161-&
[29]   LOCATION OF ENERGY BARRIERS .I. EFFECT ON DYNAMICS OF REACTIONS A+BC [J].
POLANYI, JC ;
WONG, WH .
JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (04) :1439-&
[30]   A COMPARATIVE-STUDY OF THE REACTION DYNAMICS OF SEVERAL POTENTIAL-ENERGY SURFACES OF O(3P)+H2-]OH+H .1. [J].
SCHATZ, GC ;
WAGNER, AF ;
WALCH, SP ;
BOWMAN, JM .
JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (09) :4984-4996