Abstract
A 15-mode benzene model, C 6H, was used to investigate the role of out-of-plane degrees of freedom in intramolecular vibrational energy redistribution (IVR) in benzene and to examine how well quantum and classical dynamical models describe the local mode energy flow within a truncated system. Our results confirm the importance of the out-of-plane modes in early time. This particular reduced dimensionality model is of use in predicting the character of IVR in early time for 30-mode C 6H 6.
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