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On the use of the Quasi-Gaussian entropy in systems of polyatomic flexible molecules

Authors :
Amadei, Andrea
Iacono, Barbara
Grego, Simone
Chillemi, Giovanni
Apol, M.E.F.
Paci, Enrico
Delfini, Maurizio
Nola, Alfredo Di
Source :
Journal of Physical Chemistry B. March 8, 2001, Vol. 105 Issue 9, p1834, 11 p.
Publication Year :
2001

Abstract

The use of quasi-Gaussian entropy (QGE) theory in treating systems of polyatomic flexible molecules, where the usual semigrid description may not be appropriate shown. The ability of the theory to describe intramolecular energy fluctuations and conformational equilibria of purely classical molecules in the ideal gas condition is also examined.

Details

Language :
English
ISSN :
15206106
Volume :
105
Issue :
9
Database :
Gale General OneFile
Journal :
Journal of Physical Chemistry B
Publication Type :
Academic Journal
Accession number :
edsgcl.123961527