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Słowo kluczowe TD-DFT
2016
Calculations of BODIPY dyes in the ground and excited states using the M06-2X and PBE0 functionals.
Laine Marina, Barbosa Nuno A., Wieczorek Robert, Melnikov Mikhail Ya., Filarowski Aleksander
2014
Environmental and dynamical effects on the optical properties of molecular systems by time-independent and time-dependent approaches: Coumarin derivatives as test cases
Barone Vincenzo, Biczysko Małgorzata, Bloino Julien, Carta Luciano, Pedone Alfonso
2014
Reprint of “Environmental and dynamical effects on the optical properties of molecular systems by time-independent and time-dependent approaches: Coumarin derivatives as test cases”
Barone Vincenzo, Biczysko Małgorzata, Bloino Julien, Carta Luciano, Pedone Alfonso
2017
Synthesis, structural, spectroscopic, computational and cytotoxic studies of BODIPY dyes.
Laine Marina, Barbosa Nuno A., Kochel Andrzej, Osiecka B. J., Szewczyk G., Sarna T., Ziółkowski Piotr, Wieczorek Robert, Filarowski Aleksander
2017
Towards designing polymers for photovoltaic applications : a DFT and experimental study of polyazomethines with various chemical structures.
Wojtkiewicz Jacek, Iwan Agnieszka, Pilch Marek, Boharewicz Bartosz, Wójcik Kamil, Tazbir Igor, Kamińska Maria