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On the chaperon mechanism for association rate constants: the formation of HO2 and O3

✍ Scribed by A.J.C. Varandas; A.A.C.C. Pais; J.M.C. Marques; W. Wang

Publisher: Elsevier Science
Year: 1996
Tongue: English
Weight: 583 KB
Volume: 249
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(95)01384-9

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✦ Synopsis

We report rate constants for the formation of HO 2 and 0 3 using the chaperon mechanism, and with Ar as scattering partner. The ArHO 2 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 triatomic species. The calculations have been carried out using the quasiclassical trajectory approach.

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