STATE-TO-STATE VIBRATION TRANSLATION AND VIBRATION VIBRATION RATE CONSTANTS IN H2-H2 AND HD-HD COLLISIONS

被引:47
作者
CACCIATORE, M
BILLING, GD
机构
[1] UNIV COPENHAGEN,HC ORSTED INST,CHEM LAB 3,DK-2100 COPENHAGEN,DENMARK
[2] UNIV BARI,IST CHIM GEN & INORGAN,CTR STUDIO CHIM PLASMI,I-70126 BARI,ITALY
关键词
D O I
10.1021/j100180a042
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
A semiclassical collision model and a potential energy surface fitted to ab initio data has been used to calculate V-V and V-T/R rate constants for vibrational transitions in H-2-H-2 and HD-HD collisions. The theoretical values are compared with recent experimental data.
引用
收藏
页码:217 / 223
页数:7
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