Delogu, Francesco and Demontis, Pierfranco and Suffritti, Giuseppe Baldovino and Tilocca, Antonio (1998) A Classical molecular dynamics study of recombination reactions in a microporous solid. The Journal of Chemical Physics, Vol. 109 (7), p. 2865-2873. eISSN 1089-7690. Article.
Classical molecular dynamics calculations have been applied to the study of the recombination reaction of photodissociated radical species. Within a simplified reaction scheme it has been possible to get qualitative information about the influence of the environment. A comparison has been made between reactions in a liquid solvent and in a complex structured environment, such as a microporous silicate. Marked differences in the recombination yield and in the energy relaxation mechanism have been observed.
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