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Hydration and Ion Pairing in Aqueous Mg 2+ and Zn 2+ Solutions: Force-Field Description Aided by Neutron Scattering Experiments and Ab Initio Molecular Dynamics Simulations

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https://hal.archives-ouvertes.fr/hal-02104585
Contributor : Elise Duboué-Dijon <>
Submitted on : Friday, April 19, 2019 - 3:46:21 PM
Last modification on : Thursday, November 19, 2020 - 11:06:09 AM
Long-term archiving on: : Saturday, July 20, 2019 - 1:28:23 PM

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Elise Duboué-Dijon, Philip Mason, Henry Fischer, Pavel Jungwirth. Hydration and Ion Pairing in Aqueous Mg 2+ and Zn 2+ Solutions: Force-Field Description Aided by Neutron Scattering Experiments and Ab Initio Molecular Dynamics Simulations. Journal of Physical Chemistry B, American Chemical Society, 2017, 122 (13), pp.3296-3306. ⟨10.1021/acs.jpcb.7b09612⟩. ⟨hal-02104585⟩

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