The OH(nu ')+O-2(upsilon '') reaction: a new source of stratospheric ozone?

Authors
Varandas, AJC Caridade, PJSB
Citation
Ajc. Varandas et Pjsb. Caridade, The OH(nu ')+O-2(upsilon '') reaction: a new source of stratospheric ozone?, CHEM P LETT, 339(1-2), 2001, pp. 1-8
Citations number
34
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614 → ACNP
Volume
339
Issue
1-2
Year of publication
2001
Pages
1 - 8
Database
ISI
SICI code
0009-2614(20010504)339:1-2<1:TO''RA>2.0.ZU;2-E
Abstract
We report a comparative dynamics study of the title reaction using a realis tic double many-body expansion potential energy surface (DMBE I) for ground -state HO3 [Mol. Phys. 91 (1997) 301], and a recently reported DMBE II [Che m. Phys. Lett. 334 (2001) 173] surface obtained by modifying DMBE I to fit extensive ab initio calculations corrected for the complete basis set limit . The comparison provides strong evidence that the title reaction can be a significant source of ozone under stratospheric conditions. (C) 2001 Elsevi er Science B.V. All rights reserved.