Towards accurate solvation dynamics of divalent cations in water using the polarizable amoeba force field: From energetics to structure

Jean-Philip Piquemal 1 Lalith Perera 2 G. Andrés Cisneros 3 Pengyu Ren 4 Lee Pedersen 2 Thomas Darden 2
1 LCT - Laboratoire de chimie théorique
2 NIEHS - National Institute of Environmental Health Sciences
3 Wayne State University [Detroit]
4 Biomedical Engineering [Austin]
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Journal articles
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https://hal.archives-ouvertes.fr/hal-02126806
Contributor : Jean-Philip Piquemal <>
Submitted on : Sunday, May 12, 2019 - 10:30:41 PM
Last modification on : Wednesday, May 15, 2019 - 11:12:09 AM

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Jean-Philip Piquemal, Lalith Perera, G. Andrés Cisneros, Pengyu Ren, Lee Pedersen, et al.. Towards accurate solvation dynamics of divalent cations in water using the polarizable amoeba force field: From energetics to structure. Journal of Chemical Physics, American Institute of Physics, 2006, 125 (5), pp.054511. ⟨10.1063/1.2234774⟩. ⟨hal-02126806⟩

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