Role of Cation Polarization in holo- and hemi- Directed [Pb(H 2 O) n ] 2+ Complexes and Development of a Pb 2+ Polarizable Force Field

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https://hal.archives-ouvertes.fr/hal-02126874
Contributor : Jean-Philip Piquemal <>
Submitted on : Monday, May 13, 2019 - 7:22:17 AM
Last modification on : Wednesday, May 15, 2019 - 11:12:09 AM

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Mike Devereux, Marie-Céline Van Severen, Olivier Parisel, Jean-Philip Piquemal, Nohad Gresh. Role of Cation Polarization in holo- and hemi- Directed [Pb(H 2 O) n ] 2+ Complexes and Development of a Pb 2+ Polarizable Force Field. Journal of Chemical Theory and Computation, American Chemical Society, 2010, 7 (1), pp.138-147. ⟨10.1021/ct1004005⟩. ⟨hal-02126874⟩

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