On the O-2 (upsilon')+O-2 (upsilon'') atmospheric reaction: A quasiclassical trajectory study

被引：48
|
作者：
Varandas, AJC
Wang, W
机构：
[1] Departamento de Química, Universidade de Coimbra
来源：
CHEMICAL PHYSICS | 1997年 / 215卷 / 02期
关键词：
D O I：
10.1016/S0301-0104(96)00344-8
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 study of the title four-atom atmospheric reaction for a wide range of initial vibrational quantum numbers (upsilon', upsilon ''). All calculations have employed the quasiclassical trajectory method, and a realistic potential energy surface obtained by using the double many-body expansion (DMBE) method. The implications of the results on a recently proposed hypothesis to explain the 'ozone deficit' problem are tentatively assessed.
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页码：167 / 182
页数：16
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