Literature DB >> 19761272

Quantum stereodynamics for the two product channels of the F + HD reaction from the complete scattering matrix in the stereodirected representation.

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


  1 in total

1.  Orbiting resonances in the F + HD (v = 0, 1) reaction at very low collision energies. A quantum dynamical study.

Authors:  V Sáez-Rábanos; J E Verdasco; V J Herrero
Journal:  Phys Chem Chem Phys       Date:  2019-07-10       Impact factor: 3.676

  1 in total

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