%0 Journal Article %T Computing Ion Solvation Free Energies Using the Dipolar Poisson Model %+ University of California [Davis] (UC Davis) %+ Institut de Physique Théorique - UMR CNRS 3681 (IPHT) %+ Dynamique Structurale des Macromolécules (DSM) %A Koehl, Patrice %A Orland, Henri %A Delarue, Marc %< avec comité de lecture %@ 1520-6106 %J Journal of Physical Chemistry B %I American Chemical Society %V 113 %N 17 %P 5694-5697 %8 2009-04-30 %D 2009 %R 10.1021/jp9010907 %M 19385689 %Z Life Sciences [q-bio]/Biochemistry, Molecular BiologyJournal articles %X A new continuum model is presented for computing the solvation free energies of cations in water. It combines in a single formalism based on statistical thermodynamics the Poisson model for electrostatics with the Langevin dipole model to account for nonuniform water dipole distribution around the ions. An excellent match between experimental and computed solvation free energies is obtained for 10 monovalent and divalent ions. %G English %Z P.K. acknowledges support from the Sloan foundation as well as from the NIH. %L pasteur-02174754 %U https://pasteur.hal.science/pasteur-02174754 %~ PASTEUR %~ CEA %~ CNRS %~ DSM-IPHT %~ CEA-DRF %~ GS-MATHEMATIQUES %~ GS-PHYSIQUE