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Gruppiert nach: Dokumententyp |
Veröffentlichungsdatum
Anzahl der Publikationen: 3
2018
Nogueira, Juan J.; Rassbach, Sven; Ochsenfeld, Christian und Gonzalez, Leticia
(2018):
Effect of DNA Environment on Electronically Excited States of Methylene Blue Evaluated by a Three-Layered QM/QM/MM ONIOM Scheme.
In: Journal of Chemical Theory and Computation, Bd. 14, Nr. 8: S. 4298-4308
Schnappinger, Thomas; Marazzi, Marco; Ma, Sebastian; Monari, Antonio; Gonzalez, Leticia und Vivie-Riedle, Regina de
(2018):
Intersystem Crossing as a Key Component of the Nonadiabatic Relaxation Dynamics of Bithiophene and Terthiophene.
In: Journal of Chemical Theory and Computation, Bd. 14, Nr. 9: S. 4530-4540
2017
Schnappinger, Thomas; Kölle, Patrick; Marazzi, Marco; Monari, Antonio; Gonzalez, Leticia und Vivie-Riedle, Regina de
(2017):
Ab initio molecular dynamics of thiophene: the interplay of internal conversion and intersystem crossing.
In: Physical Chemistry Chemical Physics, Bd. 19, Nr. 37: S. 25662-25670