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 - Archive ouverte HAL
Journal Articles Journal of Chemical Theory and Computation Year : 2010

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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Theoretical and/or physical chemistry

Jean-Philip Piquemal  : Connect in order to contact the contributor

https://hal.science/hal-02126874

Submitted on : Monday, May 13, 2019-7:22:17 AM

Last modification on : Friday, May 31, 2024-12:52:15 PM

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hal-02126874 , version 1 (13-05-2019)

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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, 2010, 7 (1), pp.138-147. ⟨10.1021/ct1004005⟩. ⟨hal-02126874⟩

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