Zum Inhalt springenZur Suche springen

Kontakt Detailseite

Foto von Fabian Dinkelbach

Fabian Dinkelbach
Doktorand
+49 211 81-13208
Universitätsstr. 1
40225 Düsseldorf
Gebäude: 26.32
Etage/Raum: 03.37

 

Areas of interest:

  • QM investigation of excitonic energy transfer between molecules at TDDFT and DFT/MRCI level.
  • Intersystem crossing in molecules involving Herzberg-Teller coupling using SPOILER to compute spin-orbit matrix elements and their gradients at TDDFT level. 

 

Publications:  

Intersystem crossing processes in the 2CzPN emitter: A DFT/MRCI study including vibrational spin–orbit interactions. Angela Rodriguez-Serrano, Fabian Dinkelbach and Christel M. Marian. Phys. Chem Chem. Phys., accepted (2021) DOI: 10.1039/D0CP06011A

Persistent room temperature phosphorescence from Triarylboranes: A combined experimental and theoretical study. Zhu Wu, Jörn Nitsch, Julia Schuster, Alexandra Friedrich, Katharina Edkins, Marcel Loebnitz, Fabian Dinkelbach, Vladimir Stepanenko, Frank Würthner, Christel M. Marian, Lei Ji and Todd B. Marder. Angew. Chemie Int. Ed., 5917137-17144 (2020). DOI: 10.1002/anie.202007610, DOI: 10.1002/ange.202007610

Vibronic and spin–orbit coupling effects in the absorption spectra of pyrazine: A quantum chemical approach. Fabian Dinkelbach and Christel M. Marian. J. Serb. Chem. Soc., 84, 819-836 (2019). DOI: 10.2298/JSC190510048D

Impact of fluorination on the photophysics of the flavin chromophore: A quantum chemical perspective. Mario Bracker, Fabian Dinkelbach, Oliver Weingart and Martin Kleinschmidt. Phys. Chem. Chem. Phys., 21, 9912-9923, (2019). DOI: 10.1039/C9CP00805E

Assessment of Interstate Spin–Orbit Couplings from Linear Response Amplitudes. Fabian Dinkelbach, Martin Kleinschmidt and Christel M. Marian, J. Chem. Theory Comput., 2017, 13 (2), pp 749–766. DOI: 10.1021/acs.jctc.6b01122 

Verantwortlichkeit: