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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 Connect in order to contact the contributor
Submitted on : Sunday, May 12, 2019 - 11:23:47 PM
Last modification on : Thursday, March 31, 2022 - 8:20:03 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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