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Nonaqueous Ion Pairing Exemplifies the Case for Including Electronic Polarization in Molecular Dynamics Simulations

  1. 1.
    SYSNO0577715
    TitleNonaqueous 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, ORCID
    Corespondence/seniorJungwirth, Pavel - Korespondující autor
    Martinez-Seara, Hector - Korespondující autor
    Source Title Journal of Physical Chemistry Letters. Roč. 14, č. 39 (2023), s. 8691-8696. - : American Chemical Society
    Document TypeČlánek v odborném periodiku
    Grant 101095957, XE - EU countries
    Institutional supportUOCHB-X - RVO:61388963
    Languageeng
    CountryUS
    Keywords generalized gradient approximation * perturbation theory
    URLhttps://doi.org/10.1021/acs.jpclett.3c02231
    Permanent Linkhttps://hdl.handle.net/11104/0346836
    FileDownloadSizeCommentaryVersionAccess
    10.1021acs.jpclett.3c02231.pdf02.3 MBPublisher’s postprintopen-access
     
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