Calculation of the Reaction Cross Section from a Rate Constant by the Method of Steepest-Descent
AUTOR(ES)
Lin, S. H.
RESUMO
The reaction cross section of a bimolecular reaction has been calculated from the corresponding rate constant by the inverse Laplace transform. In carrying out the inverse Laplace transform, the method of steepest-descent has been used. As applications, the reaction cross sections for the rate constant of k(T) = k′ Tne-E0/kT and for the rate constant of the absolute reaction rate theory have been calculated. The computation of the energy density function associated with the definition of the weighted-average cross section has also been discussed.
ACESSO AO ARTIGO
http://www.pubmedcentral.nih.gov/articlerender.fcgi?artid=388948Documentos Relacionados
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