Polarizable Molecular Dynamics Simulation of Zn(II) in Water Using the AMOEBA Force Field

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https://hal.archives-ouvertes.fr/hal-02126833
Contributor : Jean-Philip Piquemal <>
Submitted on : Sunday, May 12, 2019 - 11:23:47 PM
Last modification on : Wednesday, May 15, 2019 - 11:12:09 AM

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Johnny Wu, Jean-Philip Piquemal, Robin Chaudret, Peter Reinhardt, Pengyu Ren. Polarizable Molecular Dynamics Simulation of Zn(II) in Water Using the AMOEBA Force Field. Journal of Chemical Theory and Computation, American Chemical Society, 2010, 6 (7), pp.2059-2070. ⟨10.1021/ct100091j⟩. ⟨hal-02126833⟩

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