The photofragmentation of simple van der Waals complexes. Classical statistical theory and comparison with exact classical and approximate quantum dynamics results
- 1 January 1986
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Faraday Discussions of the Chemical Society
- Vol. 82, 307-325
- https://doi.org/10.1039/dc9868200307
Abstract
A recently proposed statistical theory for unimolecular reactions, based on employing approximate phase-space bottlenecks as transition states, is discussed and a new and simpler expression for the rate constant is derived. The theory is applied to a collinear model of van der Waals molecule fragmentation and the results are compared with exact classical and approximate quantum-mechanical rate constants. Sources of non-statistical behaviour and classical/quantum-mechanical discrepancy are discussed.Keywords
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