Ion hydration in high-density water

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Ion-water clusters, bulk medium effects, and ion hydration.

Thermochemistry of gas-phase ion-water clusters together with estimates of the hydration free energy of the clusters and the water ligands are used to calculate the hydration free energy of the ion. Often the hydration calculations use a continuum model of the solvent. The primitive quasichemical approximation to the quasichemical theory provides a transparent framework to anchor such efforts. ...

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ژورنال

عنوان ژورنال: Journal of Physics: Conference Series

سال: 2009

ISSN: 1742-6596

DOI: 10.1088/1742-6596/190/1/012057