Ion solvation in water clusters |
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| Authors: | Lalith Perera Max L Berkowitz |
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| Institution: | 1. Department of Chemistry, University of North Carolina, 27599, Chapel Hill, NC
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| Abstract: | We describe here molecular dynamics computer simulations performed to study the solvation of ions (Cl? and Na+) in water clusters. Our simulations show that the calculated structure and dynamics of the clusters is very sensitive to the potential model which is used to describe the interactions. From the comparison with thermodynamic data and data from the photoelectron spectra we conclude that in Cl?(H2O)n (n≤20) clusters the ion is located on the surface of the cluster. |
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