ON THE O-2 (UPSILON')-2 (UPSILON'') ATMOSPHERIC REACTION - A QUASI-CLASSICAL TRAJECTORY STUDY(O)

Citation
Ajc. Varandas et W. Wang, ON THE O-2 (UPSILON')-2 (UPSILON'') ATMOSPHERIC REACTION - A QUASI-CLASSICAL TRAJECTORY STUDY(O), Chemical physics, 215(2), 1997, pp. 167-182
Citations number
28
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
03010104
Volume
215
Issue
2
Year of publication
1997
Pages
167 - 182
Database
ISI
SICI code
0301-0104(1997)215:2<167:OTO((A>2.0.ZU;2-P
Abstract
We report a theoretical study of the title four-atom atmospheric react ion for a wide range of initial vibrational quantum numbers (upsilon', upsilon ''). All calculations have employed the quasiclassical trajec tory method, and a realistic potential energy surface obtained by usin g the double many-body expansion (DMBE) method. The implications of th e results on a recently proposed hypothesis to explain the 'ozone defi cit' problem are tentatively assessed.