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"Quantum-chemistry based calibration of the alkali metal cation series ..."

Todor Dudev et al. (2015)

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DOI: 10.1002/JCC.23801

access: closed

type: Journal Article

metadata version: 2022-10-02

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Todor Dudev, Mike Devereux, Markus Meuwly, Carmay Lim, Jean-Philip Piquemal, Nohad Gresh:
Quantum-chemistry based calibration of the alkali metal cation series (Li⁺-Cs⁺) for large-scale polarizable molecular mechanics/dynamics simulations. J. Comput. Chem. 36(5): 285-302 (2015)

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