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An infinitely diluted aqueous solution of Rb+ was studied using ab initio-based model potentials in classical Monte Carlo simulations to describe its structural and thermodynamic features. An existing flexible and polarizable model [Saint-Martin et al. in J Chem Phys 113(24) 10899, 2000] was used for water–water interactions, and the parameters of the Rb+–water potential were fitted to reproduce the...
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