Direct dynamical calculation of entropy and free energy by adiabatic switching
Author:
Publisher
American Physical Society (APS)
Subject
General Physics and Astronomy
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevLett.65.3301/fulltext
Reference22 articles.
1. Free Energy Via Molecular Simulation: Applications to Chemical and Biomolecular Systems
2. An approach to the application of free energy perturbation methods using molecular dynamics: applications to the transformations of methanol .fwdarw. ethane, oxonium .fwdarw. ammonium, glycine .fwdarw. alanine, and alanine .fwdarw. phenylalanine in aqueous solution and to H3O+(H2O)3 .fwdarw. NH4+(H2O)3 in the gas phase
3. Free energy of hydrophobic hydration: A molecular dynamics study of noble gases in water
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