Journal Articles
Journal of Computational Chemistry
Year : 2015
Jean-Philip Piquemal : Connect in order to contact the contributor
https://hal.science/hal-02126857
Submitted on : Monday, May 13, 2019-6:51:11 AM
Last modification on : Wednesday, May 31, 2023-3:51:24 PM
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Todor Dudev, Mike Devereux, Markus Meuwly, Carmay Lim, Jean-Philip Piquemal, et al.. Quantum-chemistry based calibration of the alkali metal cation series (Li + Cs + ) for large-scale polarizable molecular mechanics/dynamics simulations. Journal of Computational Chemistry, 2015, 36 (5), pp.285-302. ⟨10.1002/jcc.23801⟩. ⟨hal-02126857⟩
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