Absolute hydration free energies of ions, ion-water clusters, and quasichemical theory

D. Asthagiri, Lawrence R. Pratt, H. S. Ashbaugh

Research output: Contribution to journalArticlepeer-review

203 Scopus citations

Abstract

The absolute hydration free energies of ions, ion-water clusters and the quasichemical theory were discussed. It was found that the hydration free energies of neutral pairs computed were in good agreement with experimental results. The analysis showed that the calculated absolute hydration free energies and the excess chemical potentials deviated consistently from tabulated hydration free energies based on ion-water cluster data.

Original languageEnglish
Pages (from-to)2702-2708
Number of pages7
JournalJournal of Chemical Physics
Volume119
Issue number5
DOIs
StatePublished - Aug 1 2003
Externally publishedYes

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