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Role of polarizability in molecular interactions in ion solvation

Ahn-Ercan, Gudrun ; Krienke, H. ; Kunz, Werner



Abstract

Non-primitive model Monte Carlo simulations are carried out to explore the importance of dispersion forces for the description of aq. sodium halide solns. For this purpose the classical pair potential approxn. is revisited. The role of the polarizability of solvent mols. and of the ions is investigated and discussed in detail.


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