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On determining the number of stochastic degrees of freedom in polyatomic molecules

โœ Scribed by J.R. Stine; D.W. Noid

Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
376 KB
Volume
100
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

Construction of dimrnsionality plots have proved useful for determining the number of integrals of the motion in dynamical systems x\ith t\ o and three degrees of freedom. The slow comergence in the method is caused by the trajectory not accessing phase space uniformly. Here an information dimension is shown to have better convergence properties.

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โœ Eva Darian; Vladimir Hnizdo; Adam Fedorowicz; Harshinder Singh; Eugene Demchuk ๐Ÿ“‚ Article ๐Ÿ“… 2005 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 304 KB

## Abstract A method of statistical estimation is applied to the problem of evaluating the absolute entropy of internal rotation in a molecule with two torsional degrees of freedom. The configurational part of the entropy is obtained as that of the joint probability density of an arbitrary form rep