Effect of polarizability of halide anions on the ionic salvation in water clusters
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چکیده
منابع مشابه
Chloride anion on aqueous clusters, at the air-water interface, and in liquid water: Solvent effects on Cl− polarizability
The effect of asymmetric aqueous solvation on the polarizability of the chloride anion is investigated by accurate ab initio calculations on structures obtained from classical molecular dynamics and Car-Parrinello molecular dynamics simulations. It is shown that water environment significantly reduces the halide polarizability, on clusters, at interfaces, and in the bulk. In the relatively rigi...
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