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Anharmonic corrections in unimolecular theory: a monte carlo approach

โœ Scribed by J.D. Doll

Book ID
103016332
Publisher
Elsevier Science
Year
1980
Tongue
English
Weight
316 KB
Volume
72
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

The effects of anharmorucity on the integrated state densltles required by RRKM formulations are examined. A Pitzer-Gwmn-like approximation is developed in whxh the desired state densities are related to Thor for a solvable reference systern by an energy-dependent, classical correction factor. A Monte Carlo calculation procedure is outlined.

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