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Sodium chloride ion pair interaction in water: computer simulation |
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| Authors: | Max Berkowitz Omar A. Karim J.Andrew McCammon Peter J. Rossky |
| Affiliation: | Department of Chemistry, University of North Carolina, Chapel Hill, North Carolina 27514, USA;Department of Chemistry, University of Houston, Houston, Texas 77004, USA;Department of Chemistry, University of Texas, Austin, Texas 78712, USA |
| Abstract: | The thermodynamics and structure of a sodium chloride ion pair in liquid water are studied as a function of the ion pair separation. Distinct minima in the free energy of the system are found for contact and solvent separated ion geometries. |
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