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Influence of anharmonicity of “bath” modes on intramolecular energy transfer from a local mode

✍ Scribed by Karen L. Bintz; Donald L. Thompson; John W. Brady

Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
394 KB
Volume
131
Category
Article
ISSN
0009-2614

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✦ Synopsis

The effect of anharmonicity in the stretch and bend modes of benzene on the rate of energy flow from an excited CH stretch local mode is investigated using quasiclassical trajectories. Potentialenergy surfaces with varying degrees of anharmonicity are used in the calculations to determine which modes can be treated harmonically without affecting the rate of energy transfer. The results show that it is necessary to treat the excited stretch mode anharmonically.

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