Dynamics of the OH(v=1,2,4)+O3 atmospheric reaction

被引：25
|
作者：
Zhang, L [1 ]
Varandas, AJC [1 ]
机构：
[1] Univ Coimbra, Dept Quim, P-3049 Coimbra, Portugal
来源：
PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2001年 / 3卷 / 08期
关键词：
D O I：
10.1039/b010149o
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 report a theoretical dynamics study of the title five-atom atmospheric reaction using the quasiclassical trajectory method and a realistic double many-body expansion potential energy surface recently reported for HO4((2)A). A comparison with available results on the OH(v) quenching based on nonreactive collisions is also presented. The results indicate that vibrational excitation strongly enhances reactivity, with removal of vibrationally excited OH occurring predominantly through chemical reaction.
引用
收藏
页码：1439 / 1445
页数：7
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