Quasi-classical rate constants for the inelastic process O2(υi>>1)+O2→O2(υf)+O2

被引：0
|
作者：
Campos-Martinez, J
Carmona-Novillo, E
Echave, J
Hernandez, MI
Palma, J
机构：
[1] CSIC, Inst Matemat & Fis Fundamental, E-28006 Madrid, Spain
[2] Univ Nacl Quilmes, Ctr Estudios & Invest, Bernal, Argentina
来源：
MOLECULAR PHYSICS | 2000年 / 98卷 / 21期
关键词：
D O I：
10.1080/00268970009483377
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：
Rate constants have been calculated using quasi-classical trajectories (QCT) for the vibrational relaxation of highly excited O-2: O-2(X (3)Sigma (-)(g), nu (i)) + O-2(X (3)Sigma (-)(g), 0) --> O-2(X (3)Sigma (-)(g), nu (f)) + O-2(X (3)Sigma (-)(g)), with 22 less than or equal to nu (i) less than or equal to 28. The present full-dimensional QCT results agree very well with recent quantum reduced dimensionality calculations, giving further support to the hypothesis that the observed experimental jump in depletion rates would be due partially to enhanced vibrational relaxation.
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收藏
页码：1729 / 1735
页数：7
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