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

Preprint English OPEN
Merchant, Safir; Dixit, Purushottam D.; Dean, Kelsey R.; Asthagiri, D.;
  • Related identifiers: doi: 10.1063/1.3620077
  • Subject: Physics - Chemical Physics | Physics - Biological Physics
    arxiv: Physics::Chemical Physics

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. ... View more
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