Potential of mean force by constrained molecular dynamics: A sodium chloride ion-pair in water
- 1 August 1991
- journal article
- Published by Elsevier in Chemical Physics
- Vol. 155 (2) , 187-195
- https://doi.org/10.1016/0301-0104(91)87019-r
Abstract
No abstract availableKeywords
This publication has 25 references indexed in Scilit:
- On the molecular theory of aqueous electrolyte solutions. IV. Effects of solvent polarizabilityThe Journal of Chemical Physics, 1990
- Langevin dynamics simulation of ions in solution: Influence of the solvent structureThe Journal of Chemical Physics, 1989
- Energetics and hydration of the constituent ion pairs of tetramethylammonium chlorideJournal of the American Chemical Society, 1989
- Constrained molecular dynamics and the mean potential for an ion pair in a polar solventChemical Physics, 1989
- Potential of mean force by thermodynamic integration: Molecular-dynamics simulation of decomplexationChemical Physics Letters, 1989
- Alkali halides in water: Ion–solvent correlations and ion–ion potentials of mean force at infinite dilutionThe Journal of Chemical Physics, 1986
- Sodium chloride ion pair interaction in water: computer simulationChemical Physics Letters, 1984
- A Monte Carlo simulation of the hydrophobic interactionThe Journal of Chemical Physics, 1979
- Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella samplingJournal of Computational Physics, 1977
- Monte Carlo simulation of the average force between two ions in a Stockmayer solventChemical Physics Letters, 1975