Calculation of free energy for molecular crystals by thermodynamic integration
- 20 October 1995
- journal article
- Published by Taylor & Francis in Molecular Physics
- Vol. 86 (3) , 385-396
- https://doi.org/10.1080/00268979500102091
Abstract
No abstract availableKeywords
This publication has 4 references indexed in Scilit:
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- Polynomial path for the calculation of liquid state free energies from computer simulations tested on liquid waterJournal of Computational Chemistry, 1992
- Excess free energy of liquids from molecular dynamics simulations. Application to water modelsJournal of the American Chemical Society, 1988
- The missing term in effective pair potentialsThe Journal of Physical Chemistry, 1987