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Title: Theoretical characterization of transition state dynamical resonances in heavy-light-heavy reactions
Author: Aguilar Navarro, Antonio
Albertí i Wirsing, Margarida
Blasco, R.
Gilibert, Miquel
Giménez i Font, Xavier
González Pérez, Miguel
Lucas Alcorta, José María
Prieto, M.
Sayós Ortega, Ramón
Solé, Albert (Solé Sabaté)
Keywords: Ressonància
Reactivitat (Química)
Reactivity (Chemistry)
Issue Date: 1991
Publisher: Hindawi
Abstract: The resonant reactivity of three elementary Heavy-Light-Heavy reactions is presented and discussed. Collinear reactivity, in which a vibrational adiabatic model is constructed, is used for a detailed analysis of resonance phenomena, which appear as a direct consequence of transition state metastable states in the strong interaction region of the potential energy surface. Their influence on the detailed mechanism of the elementary process is also discussed. The shape of the resonant peak, and the phase and the Argand plot of the S-matrix are used for a further characterization.Three-dimensional approximate calculations are used to test the evolution of the energy dependent structure present in detailed quantities when sums and integrations over all partial waves contributing to reaction are taken into account to obtain the usual averaged global quantities such as integral state-to-state cross sections.
Note: Reproducció del document publicat a:
It is part of: Laser Chemistry, 1991, vol. 11, num. 3-4, p. 291-302
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ISSN: 0278-6273
Appears in Collections:Articles publicats en revistes (Ciència dels Materials i Química Física)

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