A REDUCED DIMENSION QUANTUM REACTIVE SCATTERING STUDY OF OH+CO-REVERSIBLE-H+CO2

被引:53
作者
SCHATZ, GC
DYCK, J
机构
[1] Department of Chemistry, Northwestern University, Evanston
基金
美国国家科学基金会;
关键词
D O I
10.1016/0009-2614(92)85080-T
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
We develop a two-degree of freedom model of OH + CO half arrow right over half arrow left H + CO2 based on a realistic potential surface. Trajectory and RRKM results for this model are similar to their full dimensional counterparts. Accurate quantum studies of the model show that quantum and nonstatistical effects play an important role in determining HOCO lifetimes.
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页码:11 / 15
页数:5
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