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Nonaqueous Ion Pairing Exemplifies the Case for Including Electronic Polarization in Molecular Dynamics Simulations
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SYSNO 0577715 Title Nonaqueous Ion Pairing Exemplifies the Case for Including Electronic Polarization in Molecular Dynamics Simulations Author(s) Košťál, Vojtěch (UOCHB-X) [630/63] ORCID
Jungwirth, Pavel (UOCHB-X) [630/63] RID, ORCID
Martinez-Seara, Hector (UOCHB-X) [630/63] RID, ORCIDCorespondence/senior Jungwirth, Pavel - Korespondující autor
Martinez-Seara, Hector - Korespondující autorSource Title Journal of Physical Chemistry Letters. Roč. 14, č. 39 (2023), s. 8691-8696. - : American Chemical Society Document Type Článek v odborném periodiku Grant 101095957, XE - EU countries Institutional support UOCHB-X - RVO:61388963 Language eng Country US Keywords generalized gradient approximation * perturbation theory URL https://doi.org/10.1021/acs.jpclett.3c02231 Permanent Link https://hdl.handle.net/11104/0346836 File Download Size Commentary Version Access 10.1021acs.jpclett.3c02231.pdf 0 2.3 MB Publisher’s postprint open-access
Number of the records: 1