Lefrancois, Daniel M.Sc.; Dr.Universität HeidelbergHeidelberg
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Publications in heiBIB 
- Pusch, Stefan: Mechanism and cis/trans Selectivity of Vinylogous Nazarov-type [6π] Photocyclizations / Stefan Pusch, Andreas Tröster, Daniel Lefrancois, Pooria Farahani, Andreas Dreuw, Thorsten Bach, and… , 2018. - 9 S.
In: The journal of organic chemistry, ISSN 1520-6904. 83(2018), 2, Seite 964-972
DOI: 10.1021/acs.joc.7b02982
- Lefrancois, Daniel: Development of single-reference algebraic-diagrammatic construction methods for the treatment of systems with multi-reference character / vorgelegt von Daniel Lefrancois, M.Sc.. -
Heidelberg, 2017. - IX, 179, A38 Seiten : Illustrationen, Diagramme
- Lefrancois, Daniel: The spin-flip variant of the algebraic-diagrammatic construction yields the correct topology of S1/S0 conical intersections / Daniel Lefrancois, Deniz Tuna, Todd J. Martínez, and Andreas Dreuw. - 6 S.
In: Journal of chemical theory and computation, ISSN 1549-9626. 13(2017), 9, S. 4436-4441
DOI: 10.1021/acs.jctc.7b00634
- Gustmann, Henrik: Spin the light off : rapid internal conversion into a dark doublet state quenches the fluorescence of an RNA spin label / Henrik Gustmann, Daniel Lefrancois, Andreas J. Reuss, Dnyaneshwar B. Gophane, Markus Braun, Andreas … . - 10 S.
In: Physical chemistry, chemical physics, ISSN 1463-9084. 19(2017), 38, S. 26255-26264
DOI: 10.1039/C7CP03975A
- Komainda, Adrian: Theoretical study of the initial non-radiative 1 Bu → 2 Ag transition in the fluorescence quenching of s-trans-butadine : electronic structure methods and quantum dynamics / A. Komainda, D. Lefrancois, A. Dreuw, H. Köppel, 12 January 2017. - 12 S.
In: Chemical physics. 482(2017), Seite 27-38
DOI: 10.1016/j.chemphys.2016.09.031
- Lefrancois, Daniel: Accurate adiabatic singlet-triplet gaps in atoms and molecules employing the third-order spin-flip algebraic diagrammatic construction scheme for the polarization propagator / Daniel Lefrancois, Dirk R. Rehn, and Andreas Dreuw
In: The journal of chemical physics, ISSN 1089-7690. 145(2016,8) Artikelnummer 084102, 8 Seiten
DOI: 10.1063/1.4961298
- Tuna, Deniz: 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 / Deniz Tuna, Daniel Lefrancois, Łukasz Wolański, Samer Gozem, Igor Schapiro, Tadeusz Andruniów, Andre… . - 24 S.
In: Journal of chemical theory and computation, ISSN 1549-9626. 11(2015), 12, S. 5758-5781
DOI: 10.1021/acs.jctc.5b00022
- Lefrancois, Daniel: Adapting algebraic diagrammatic construction schemes for the polarization propagator to problems with multi-reference electronic ground states exploiting the spin-flip ansatz / Daniel Lefrancois, Michael Wormit, and Andreas Dreuw, 28 September 2015. - 10 S.
In: The journal of chemical physics, ISSN 1089-7690. 143(2015,12) Artikelnummer 124107, 10 Seiten
DOI: 10.1063/1.4931653
- Kohl-Landgraf, Jörg: Mechanism of the photoinduced uncaging reaction of puromycin protected by a 6-nitroveratryloxycarbonyl group / Jörg Kohl-Landgraf, Florian Buhr, Daniel Lefrancois, Jan-Michael Mewes, Harald Schwalbe, Andreas Dre… . - 9 S.
In: Journal of the American Chemical Society, ISSN 1520-5126. 136(2014), 9, S. 3430-3438
DOI: 10.1021/ja410594y
