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Aoussaj Sbai
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Centrum Transferu Wiedzy i Technologii
- Location
- Al. Zwycięstwa 27, 80-219 Gdańsk
- Phone
- +48 58 348 62 62
- biznes@pg.edu.pl
Contact
- aoussaj.sbai@pg.edu.pl
Publication showcase
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Singlet and triplet excited states of a series of BODIPY dyes as calculated by TDDFT and DLPNO-STEOM-CCSD methods
The singlet and triplet excited states of three iodine substituted BODIPY dyes differing by their substituent (-phenyl, -phenylOH and -phenylNO2) at the meso position of the BODIPY core (BOD) are investigated by (TDA)-TDDFT and DLPNO-STEOM-CCSD calculations. An assessment of hybrid (B3LYP and MN15) and double hybrid (SOS-PBE-QIDH and SOS-ωPBEPP86) exchange-correlation functionals is performed with respect to the DLPNO-STEOM-CCSD...
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