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

Author

Amadei, Andrea, Iacono, Barbara, Grego, Simone, Chillemi, Giovanni, Apol, M.E.F., Paci, Enrico, Delfini, Maurizio, and Nola, Alfredo Di

Subjects
Molecules -- Observations, Entropy (Physics) -- Usage, Chemistry, Physical and theoretical -- Research, Chemicals, plastics and rubber industries
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.

Published
2001

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