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Title

Partition Function and the Level Density of the Hindered Rotor
Authors

W. Witschel
C. Hartwigsen
Journal / Anthology

Chemical Physics Letters
Year: 1997
Volume: 273
Issue: 5-6
Page range: 304-310
Description

Mathematica 3.0 is used for calculating the eigenvalues, partition function and level density of the hindered rotor by solving the appropriate Mathieu equation. An independent approach is the steepest-descent approximation for the level density. The necessary precise partition function is provided by the Wigner-Kirkwood approximation in order n4. The methods agree, thus solving the problem of level density in reaction kinetics.
Subject

*Science > Chemistry


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