Monte Carlo calculation of energy and electron transfer in a monolayer of spheroids

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Abstract

Orientation-sensitive reactions have been modelled within equilibrium Monte Carlo distributions of reactants in a monolayer. The model consists of hard oblate spheroids with their centres in a plane. Configuration averages of a dipole-dipole energy-transfer rate constant and of an electron-transfer atomic-orbital overlap were calculated. The apparent reaction order is greater than two over most of the density range studied and is sensitive to orientational ordering.

Original languageEnglish (US)
Pages (from-to)51-56
Number of pages6
JournalJournal of the Chemical Society, Faraday Transactions
Volume87
Issue number1
DOIs
StatePublished - Dec 1 1991

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