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A novel path sampling method for the calculation of rate constants

✍ Scribed by van Erp, Titus S.; Moroni, Daniele; Bolhuis, Peter G.


Book ID
121653901
Publisher
American Institute of Physics
Year
2003
Tongue
English
Weight
693 KB
Volume
118
Category
Article
ISSN
0021-9606

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A test of the Kassel quantum expressions for unimolecular rate constants and densities of vibrational states is described. Rate constants are calculated for nine reactions previously used in such tests, over a wide range of temperatures and pressures. The Kassel expression using the geometric mean o