SPECTRAL QUANTIZATION OF TRANSITION-STATE DYNAMICS FOR THE 3-DIMENSIONAL H+H2 REACTION

被引:74
作者
SKODJE, RT
SADEGHI, R
KOPPEL, H
KRAUSE, JL
机构
[1] UNIV COLORADO,PROGRAM APPL MATH,BOULDER,CO 80309
[2] UNIV CALIF SAN DIEGO,DEPT CHEM,SAN DIEGO,CA 92093
[3] UNIV HEIDELBERG,W-6900 HEIDELBERG,GERMANY
关键词
D O I
10.1063/1.467728
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
Applying a spectral quantization method, we find the positions and widths of 32 transition state resonances in the three-dimensional reaction H+H-2 with J=0. The assignment of many of the resonances appears to follow asymmetric stretch and bend progressions for a linear triatomic molecule.
引用
收藏
页码:1725 / 1729
页数:5
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