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Reassessing Spin-Coupled (Full Generalized Valence Bond) Descriptions of Ozone Using Three-Center Bond Indices.

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    SYSNO0480523
    TitleReassessing Spin-Coupled (Full Generalized Valence Bond) Descriptions of Ozone Using Three-Center Bond Indices.
    Author(s) Cooper, D.L. (GB)
    Penotti, F.E. (IT)
    Ponec, Robert (UCHP-M) RID, ORCID, SAI
    Source Title Computational and Theoretical Chemistry. Roč. 1116, Sl (2017), s. 40-49
    Document TypeČlánek v odborném periodiku
    Institutional supportUCHP-M - RVO:67985858
    Languageeng
    CountryNL
    Keywords full GVB and spin-coupled * PI-system in O3 * domain-averaged fermi holes
    Permanent Linkhttp://hdl.handle.net/11104/0276291
    FileDownloadSizeCommentaryVersionAccess
    0480523.pdf120.9 MBAuthor’s postprintopen-access
     
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