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Density of States of One-Dimensional Hindered Internal Rotors and Separability of Rotational Degrees of Freedom

✍ Scribed by Knyazev, Vadim D.


Book ID
120158515
Publisher
American Chemical Society
Year
1998
Tongue
English
Weight
146 KB
Volume
102
Category
Article
ISSN
1089-5639

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The density or sum of states for a collection of independent oscillators, free rotors, and one-dimensional hindered rotors is obtained with good accuracy by numerical inversion of the corresponding total partition function by the method of steepest descents. The hindered-rotor partition functions ar