Assessment of TDDFT- and CIS-based methods for calculating fluorescence spectra of (dibenzoylmethanato)boron difluoride exciplexes with aromatic hydrocarbons
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DOI: 10.1007/s00894-017-3341-9
Abstract: The applicabilities of various CIS- and TDDFT-based procedures to the calculation of the fluorescence spectra of DBMBF2 exciplexes with aromatic hydrocarbons are analyzed. It is shown that a reasonable agreement between the calculated and experimental… read more here.
Keywords: cis; exciplexes aromatic; fluorescence; fluorescence spectra ... See more keywords