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Predicting hydration energies for multivalent ions

Martin P Andersson1, Susan L S Stipp

  • 1Department of Chemistry, Nano-Science Center, University of Copenhagen, Universitetsparken 5, DK-2100, Copenhagen, Denmark.

Journal of Computational Chemistry
|September 13, 2014
PubMed

Keywords:
COSMO-RSdensity functional theoryhydration energyimplicit solventionssolvation energy

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