Dynamics study of the HO(v '=0)+O-2(v '') branching atmospheric reaction. 1. Formation of hydroperoxyl radical

Authors
Garrido, JD Caridade, PJSB Varandas, AJC
Citation
Jd. Garrido et al., Dynamics study of the HO(v '=0)+O-2(v '') branching atmospheric reaction. 1. Formation of hydroperoxyl radical, J PHYS CH A, 103(25), 1999, pp. 4815-4822
Citations number
42
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF PHYSICAL CHEMISTRY A
ISSN journal
10895639 → ACNP
Volume
103
Issue
25
Year of publication
1999
Pages
4815 - 4822
Database
ISI
SICI code
1089-5639(19990624)103:25<4815:DSOTH'>2.0.ZU;2-8
Abstract
We report a theoretical study of the title four-atom atmospheric reaction f or a range of translational energies 0.1 less than or equal to E-tr/kcal mo l(-1) less than or equal to 40 and the range 13 less than or equal to upsil on " less than or equal to 27 of vibrational quantum numbers of the oxygen molecule. All calculations have employed the quasiclassical trajectory meth od, and a realistic potential energy surface obtained by using the double m any-body expansion (DMBE) method for ground-state HO3.