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Calculation of Cl2 vibrational distributions after vibrational predissociation of He2–Cl2

AuthorsGarcía Vela, Alberto
Issue Date8-Jun-2005
PublisherAmerican Institute of Physics
CitationJournal of Chemical Physics 122(21): 216101 (2005)
AbstractAn approximate model is tested in order to obtain the vibrational distributions of the Cl2 fragment produced after He2–Cl2(B) predissociation, when the dynamics is simulated by a full-dimensional wave-packet method. The model is intended to overcome the limitations imposed to a rigorous calculation of the vibrational distributions by the use of a finite grid size and absorbing boundary conditions. The good agreement found between the present results and the available experimental data indicates that the model is able to provide realistic estimates for the product vibrational distributions.
Description2 pages, 1 figure, 1 table.
Publisher version (URL)http://dx.doi.org/10.1063/1.1924508
Appears in Collections:(CFMAC-IFF) Artículos
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