Hydration numbers of biologically relevant divalent metal cations from <i>ab initio</i> molecular dynamics and continuum solvation methods

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Authors: Tadeáš Kalvoda, Tomas Martinek, Pavel Jungwirth, Lubomír Rulíšek

Journal title: The Journal of Chemical Physics

Journal number: 160

Journal publisher: AIP Publishing

Published year: 2024

DOI identifier: 10.1063/5.0192024

ISSN: 0021-9606