TEST OF VARIATIONAL TRANSITION-STATE THEORY AND MULTIDIMENSIONAL SEMICLASSICAL TRANSMISSION COEFFICIENT METHODS AGAINST ACCURATE QUANTAL RATE CONSTANTS FOR H+H2/HD, D+H2, AND O+H2/D2/HD, INCLUDING INTRAMOLECULAR AND INTERMOLECULAR KINETIC ISOTOPE EFFECTS

被引:90
|
作者
GARRETT, BC
TRUHLAR, DG
SCHATZ, GC
机构
[1] UNIV MINNESOTA, DEPT CHEM, MINNEAPOLIS, MN 55455 USA
[2] NORTHWESTERN UNIV, DEPT CHEM, EVANSTON, IL 60201 USA
[3] CHEM DYNAM CORP, COLUMBUS, OH 43220 USA
关键词
D O I
10.1021/ja00271a015
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
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页码:2876 / 2881
页数:6
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