QUASI-CLASSICAL TRAJECTORY STUDY OF THE ENVIRONMENTAL REACTION O-]OH+O-2(HO2)

Authors
WANG W GONZALEZJONTE R VARANDAS AJC
Citation
W. Wang et al., QUASI-CLASSICAL TRAJECTORY STUDY OF THE ENVIRONMENTAL REACTION O-]OH+O-2(HO2), The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(35), 1998, pp. 6935-6941
Citations number
29
Categorie Soggetti
Chemistry Physical
Journal title
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory → ACNP
ISSN journal
10895639
Volume
102
Issue
35
Year of publication
1998
Pages
6935 - 6941
Database
ISI
SICI code
1089-5639(1998)102:35<6935:QTSOTE>2.0.ZU;2-R
Abstract
We report a detailed dynamics and kinetics study of the title reaction over the range of translational energies 0.418 less than or equal to E-tr/kJ mol(-1) less than or equal to 62.760 by employing the quasicla ssical trajectory method and a recently reported double many-body expa nsion potential energy surface for ground-state HO3. A comparison of t he calculated thermal rate constants with the available experimental r esults is also presented.