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A comparison of various methods for calculating unimolecular reaction rate constants

✍ Scribed by Ralph E. Weston Jr.

Publisher
John Wiley and Sons
Year
1986
Tongue
English
Weight
672 KB
Volume
18
Category
Article
ISSN
0538-8066

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✦ Synopsis

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 of the molecular vibration frequencies is generally found to give better results than that using the arithmetic mean.

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