@article{UBHD-68195724, author={Gustmann, Henrik and Lefrancois, Daniel and Dreuw, Andreas}, title={Spin the light off}, subtitle={rapid internal conversion into a dark doublet state quenches the fluorescence of an RNA spin label}, year={2017}, pages={26255-26264}, language={eng}, issn={1463-9084}, volume={19}, number={38}, note={Gesehen am 29.11.2017}, journal={Physical chemistry, chemical physics}, doi={10.1039/C7CP03975A}, } @article{UBHD-68201825, author={Kohl-Landgraf, J{\"o}rg and Lefrancois, Daniel and Mewes, Jan-Michael and Dreuw, Andreas}, title={Mechanism of the photoinduced uncaging reaction of puromycin protected by a 6-nitroveratryloxycarbonyl group}, year={2014}, pages={3430-3438}, language={eng}, issn={1520-5126}, volume={136}, number={9}, note={Gesehen am 14.12.2017}, journal={Journal of the American Chemical Society}, doi={10.1021/ja410594y}, } @article{UBHD-68194672, author={Komainda, Adrian and Lefrancois, Daniel and Dreuw, Andreas and K{\"o}ppel, Horst}, title={Theoretical study of the initial non-radiative 1 Bu → 2 Ag transition in the fluorescence quenching of s-trans-butadine}, subtitle={electronic structure methods and quantum dynamics}, year={2017}, pages={27-38}, language={eng}, volume={482}, note={Im Titel erscheinen bei dem Begriff "1 Bu → 2 Ag" die Zeichen u und g tiefergestellt ; Online verf{\"u}gbar seit dem 28.09.2016, gesehen am 27.11.2017}, journal={Chemical physics}, doi={10.1016/j.chemphys.2016.09.031}, } @article{UBHD-68198757, author={Lefrancois, Daniel and Rehn, Dirk R. and Dreuw, Andreas}, title={Accurate adiabatic singlet-triplet gaps in atoms and molecules employing the third-order spin-flip algebraic diagrammatic construction scheme for the polarization propagator}, year={2016}, language={eng}, issn={1089-7690}, volume={145(2016}, note={Gesehen am 06.12.2017}, journal={The journal of chemical physics}, doi={10.1063/1.4961298}, } @article{UBHD-68199941, author={Lefrancois, Daniel and Wormit, Michael and Dreuw, Andreas}, title={Adapting algebraic diagrammatic construction schemes for the polarization propagator to problems with multi-reference electronic ground states exploiting the spin-flip ansatz}, year={2015}, pages={10 S.}, language={eng}, issn={1089-7690}, volume={143(2015}, note={Gesehen am 11.12.2017}, journal={The journal of chemical physics}, doi={10.1063/1.4931653}, } @book{UBHD-68216934, author={Lefrancois, Daniel}, organization={Universit{\"a}t Heidelberg}, title={Development of single-reference algebraic-diagrammatic construction methods for the treatment of systems with multi-reference character}, address={Heidelberg}, year={2017}, pages={IX, 179, A38 Seiten}, language={eng}, school={Dissertation, Ruprecht-Karls-Universit{\"a}t Heidelberg, 2017}, library={UB [Signatur: 2018 U 102]}, } @article{UBHD-68201333, author={Lefrancois, Daniel and Dreuw, Andreas}, title={The spin-flip variant of the algebraic-diagrammatic construction yields the correct topology of S1/S0 conical intersections}, year={2017}, pages={4436-4441}, language={eng}, issn={1549-9626}, volume={13}, number={9}, note={Im Titel erscheinen die Ziffern 1 und 0 tiefgestellt. ; Gesehen am 13.12.2017}, journal={Journal of chemical theory and computation}, doi={10.1021/acs.jctc.7b00634}, } @article{UBHD-68578293, author={Pusch, Stefan and Lefrancois, Daniel and Dreuw, Andreas}, title={Mechanism and cis/trans Selectivity of Vinylogous Nazarov-type [6π] Photocyclizations}, year={2018}, pages={964-972}, language={eng}, issn={1520-6904}, volume={83}, number={2}, note={Published: December 22, 2017 ; Gesehen am 15.05.2020}, journal={The journal of organic chemistry}, doi={10.1021/acs.joc.7b02982}, } @article{UBHD-68201324, author={Tuna, Deniz and Lefrancois, Daniel and Dreuw, Andreas}, title={Assessment of approximate coupled-cluster and algebraic-diagrammatic-construction methods for ground- and excited-state reaction paths and the conical-intersection seam of a retinal-chromophore model}, year={2015}, pages={5758-5781}, language={eng}, issn={1549-9626}, volume={11}, number={12}, note={Gesehen am 13.12.2017}, journal={Journal of chemical theory and computation}, doi={10.1021/acs.jctc.5b00022}, }