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A stochastic theory of chemical reaction rates. II. Applications

✍ Scribed by Bernard Gaveau; James T. Hynes; Raymond Kapral; Michel Moreau

Publisher: Springer
Year: 1989
Tongue: English
Weight: 616 KB
Volume: 56
Category: Article
ISSN: 0022-4715
DOI: 10.1007/bf01016784

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## Abstract A new implementation of the classical reaction path–Liouville algorithm, as developed by the authors in the preceding paper, is tested with several chemical reactions. It results in a simple algorithm, which may be used straightforwardly for the calculation of rate constants, as well as