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Journal Articles Journal of Chemical Theory and Computation Year : 2019

Addressing Polarization Phenomena in Molecular Machines Containing Transition Metal Ions with an Additive Force Field

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hal-03602636 , version 1 (09-03-2022)

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Shuangli Du, Haohao Fu, Xueguang Shao, Christophe Chipot, Wensheng Cai. Addressing Polarization Phenomena in Molecular Machines Containing Transition Metal Ions with an Additive Force Field. Journal of Chemical Theory and Computation, 2019, 15 (3), pp.1841--1847. ⟨10.1021/acs.jctc.8b00972⟩. ⟨hal-03602636⟩
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