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Photophysics of BODIPY-Based Photosensitizer for Photodynamic Therapy: Surface Hopping and Classical Molecular Dynamics

  1. 1.
    SYSNO0519352
    TitlePhotophysics of BODIPY-Based Photosensitizer for Photodynamic Therapy: Surface Hopping and Classical Molecular Dynamics
    Author(s) Pederzoli, Marek (UFCH-W) ORCID, RID
    Baig, Mirza Wasif (UFCH-W)
    Kývala, M. (CZ)
    Pittner, Jiří (UFCH-W) RID, ORCID
    Cwiklik, Lukasz (UFCH-W) RID, ORCID
    Corespondence/seniorPittner, Jiří - Korespondující autor
    Cwiklik, Lukasz - Korespondující autor
    Source Title Journal of Chemical Theory and Computation . Roč. 15, č. 9 (2019), s. 5046-5057. - : American Chemical Society
    Document TypeČlánek v odborném periodiku
    Institutional supportUFCH-W - RVO:61388955
    Languageeng
    CountryUS
    Keywords singlet oxygen generation * fluorescence spectroscopy * conical intersections * basis-sets * dyes * dft * approximation * substitution * transitions * absorption
    URLhttp://hdl.handle.net/11104/0304345
    Permanent Linkhttp://hdl.handle.net/11104/0304345
    FileDownloadSizeCommentaryVersionAccess
    0519352.pdf126.1 MBPublisher’s postprintrequire
     
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