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Classical Dynamics Study of Intramolecular Energy Transfer in Benzene
Bintz, Karen Lynn
Bintz, Karen Lynn
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Abstract
Classical trajectory calculations have been carried out to investigate intramolecular energy transfer in benzene. The effect of anharmonicity on energy transfer from an excited CH stretch local mode has been explored. A general code has been developed in conjunction with this study that can be used to treat other molecular systems with a minimum of programming effort.
Date
1986-12-01