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An MS-CASPT2 Calculation of the Excited Electronic States of an Axial Difluoroborondipyrromethene (BODIPY) Dimer

  1. 1.
    SYSNO0493068
    TitleAn MS-CASPT2 Calculation of the Excited Electronic States of an Axial Difluoroborondipyrromethene (BODIPY) Dimer
    Author(s) Wen, Jin (UOCHB-X) [620/62] RID, ORCID
    Han, B. (US)
    Havlas, Zdeněk (UOCHB-X) [620/62] RID, ORCID
    Michl, Josef (UOCHB-X) [720/72] RID, ORCID
    Corespondence/seniorMichl, Josef - Korespondující autor
    Source Title Journal of Chemical Theory and Computation . Roč. 14, č. 8 (2018), s. 4291-4297. - : American Chemical Society
    Document TypeČlánek v odborném periodiku
    Grant GA15-19143S GA ČR - Czech Science Foundation (CSF)
    Institutional supportUOCHB-X - RVO:61388963
    Languageeng
    CountryUS
    Keywords second-order perturbation theory * Gaussian basis sets * photodynamic therapy
    Permanent Linkhttp://hdl.handle.net/11104/0286526
     
Number of the records: 1  

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