Title of article
Quasi-classical rate constants for the inelastic process O2(?i much greater than 1) + O2 M O2(?f) + O2
Author/Authors
Campos-Martinez، Jose نويسنده , , Carmona-Novillo، Estela نويسنده , , Echave، Julian نويسنده , , Hernandez، Marta I. نويسنده , , Palma، Juliana نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2000
Pages
-1728
From page
1729
To page
0
Abstract
Rate constants have been calculated using quasi-classical trajectories (QCT) for the vibrational relaxation of highly excited O2: O2(X3‡g-, ?i) + O2(X3‡g-,0) M O2(X3‡g-, ?f) + O2(X3‡g-), with 22 h ?i h 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.
Keywords
Fullerenes , Chemical synthesis , Organic compounds , Electronic paramagnetic resonance (EPR) , Infrared spectroscopy
Journal title
MOLECULAR PHYSICS
Serial Year
2000
Journal title
MOLECULAR PHYSICS
Record number
42146
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