ON THE CHAPERONE MECHANISM FOR ASSOCIATION RATE CONSTANTS - THE FORMATION OF HO2 AND O-3

Authors
VARANDAS AJC PAIS AACC MARQUES JMC WANG W
Citation
Ajc. Varandas et al., ON THE CHAPERONE MECHANISM FOR ASSOCIATION RATE CONSTANTS - THE FORMATION OF HO2 AND O-3, Chemical physics letters, 249(3-4), 1996, pp. 264-271
Citations number
30
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Chemical physics letters → ACNP
ISSN journal
00092614
Volume
249
Issue
3-4
Year of publication
1996
Pages
264 - 271
Database
ISI
SICI code
0009-2614(1996)249:3-4<264:OTCMFA>2.0.ZU;2-S
Abstract
We report rate constants for the formation of HO2 and O-3 using the ch aperon mechanism, and with Ar as scattering partner. The ArHO2 and ArO 3 potential energy surfaces have been written as a pairwise summation of realistic EHFACE2-type potentials for interactions involving Ar and reliable global DMBE potential surfaces for chemically stable triatom ic species. The calculations have been carried out using the quasiclas sical trajectory approach.