http://www.cnr.it/ontology/cnr/individuo/prodotto/ID34446
Quantum Stereodynamics for the Two Product Channels of the F + HD Reaction from the Complete Scattering Matrix in the Stereodirected Representation (Articolo in rivista)
- Type
- Label
- Quantum Stereodynamics for the Two Product Channels of the F + HD Reaction from the Complete Scattering Matrix in the Stereodirected Representation (Articolo in rivista) (literal)
- Anno
- 2009-01-01T00:00:00+01:00 (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
- 10.1021/jp904972 (literal)
- Alternative label
D. Skouteris [1], D. De Fazio[2], S. Cavalli[3] and V. Aquilant[3]i (2009)
Quantum Stereodynamics for the Two Product Channels of the F + HD Reaction from the Complete Scattering Matrix in the Stereodirected Representation
in The journal of physical chemistry. A
(literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
- D. Skouteris [1], D. De Fazio[2], S. Cavalli[3] and V. Aquilant[3]i (literal)
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- ISI Web of Science (WOS) (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
- [ 1 ] Univ Perugia, Dipartimento Matemat & Informat, I-06123 Perugia, Italy
[ 2 ] CNR, Ist Metodol Inorgan & Plasmi, I-00016 Rome, Italy
[ 3 ] Univ Perugia, Dipartimento Chim, I-06123 Perugia, Italy (literal)
- Titolo
- Quantum Stereodynamics for the Two Product Channels of the F + HD Reaction from the Complete Scattering Matrix in the Stereodirected Representation (literal)
- 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. (literal)
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