Estimation of the absolute internal-rotation entropy of molecules with two torsional degrees of freedom from stochastic simulations
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 represented by a...
| Veröffentlicht in: | Journal of computational chemistry. - 1984. - 26(2005), 7 vom: 08. Mai, Seite 651-60 |
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| 1. Verfasser: | |
| Weitere Verfasser: | , , , |
| Format: | Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2005
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| Zugriff auf das übergeordnete Werk: | Journal of computational chemistry |
| Schlagworte: | Journal Article |