| Literature DB >> 19761272 |
D Skouteris1, D De Fazio, S Cavalli, V Aquilanti.
Abstract
For the two exit arrangements of the F + HD reaction, the full scattering matrix is obtained by exact quantum dynamics on an accurate potential energy surface. The S matrix is expressed in the stereodirected representation, for the first time, for all channels of a triatomic reaction. We analyze a collision energy where the dominant reaction mechanism is direct and a total angular momentum J = 0. It is found that the introduction of steric quantum numbers (correlated in the vector model to the angles measuring directions of approaching reactants and of separating products) provides a sharp description of stereodynamical features for both exit channels.Entities:
Year: 2009 PMID: 19761272 DOI: 10.1021/jp904972n
Source DB: PubMed Journal: J Phys Chem A ISSN: 1089-5639 Impact factor: 2.781