A quantum scattering study of collinear reaction probabilities for the fluorine atom and hydrogen molecule system

Citation
Wy. Ma et al., A quantum scattering study of collinear reaction probabilities for the fluorine atom and hydrogen molecule system, ACT CHIM S, 57(6), 1999, pp. 578-582
Citations number
7
Categorie Soggetti
Chemistry
Journal title
ACTA CHIMICA SINICA
ISSN journal
05677351 → ACNP
Volume
57
Issue
6
Year of publication
1999
Pages
578 - 582
Database
ISI
SICI code
0567-7351(1999)57:6<578:AQSSOC>2.0.ZU;2-4
Abstract
A new quantum scattering approach (linear combination of arrangement channe ls - scattering wavefunction, LCAC - SW) proposed by Deng and his co - work ers is used to calculate collinear state to - state reaction probabilities for the F + H-2(upsilon = 0)-->HF(v') + II system on the 6SEC potential ene rgy surface. The calculated results reflect the character of potential ener gy surface accurately (there is a "shallow hollow" along reaction coordinat e on 6SEC potential energy surface), They are compared with other theoretic al investigations reported in the literature, It is shown that the LCAC - S W approach is the successful one of quantum scattering methods.