Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of chemical physics 155 (8), 2021 | 690 | 2021 |

Assessment of approximate coupled-cluster and algebraic-diagrammatic-construction methods for ground-and excited-state reaction paths and the conical-intersection seam of a … D Tuna, D Lefrancois, Ł Wolański, S Gozem, I Schapiro, T Andruniów, ... Journal of Chemical Theory and Computation 11 (12), 5758-5781, 2015 | 143 | 2015 |

Adapting algebraic diagrammatic construction schemes for the polarization propagator to problems with multi-reference electronic ground states exploiting the spin-flip ansatz D Lefrancois, M Wormit, A Dreuw The Journal of Chemical Physics 143 (12), 2015 | 47 | 2015 |

The Spin-Flip Variant of the Algebraic-Diagrammatic Construction Yields the Correct Topology of S_{1}/S_{0} Conical IntersectionsD Lefrancois, D Tuna, TJ Martínez, A Dreuw Journal of Chemical Theory and Computation 13 (9), 4436-4441, 2017 | 37 | 2017 |

Mechanism of the photoinduced uncaging reaction of puromycin protected by a 6-nitroveratryloxycarbonyl group J Kohl-Landgraf, F Buhr, D Lefrancois, JM Mewes, H Schwalbe, A Dreuw, ... Journal of the American Chemical Society 136 (9), 3430-3438, 2014 | 32 | 2014 |

Accurate adiabatic singlet-triplet gaps in atoms and molecules employing the third-order spin-flip algebraic diagrammatic construction scheme for the polarization propagator D Lefrancois, DR Rehn, A Dreuw The Journal of Chemical Physics 145 (8), 2016 | 17 | 2016 |

Mechanism and *cis*/*trans* Selectivity of Vinylogous Nazarov-type [6π] Photocyclizations†S Pusch, A Tröster, D Lefrancois, P Farahani, A Dreuw, T Bach, T Opatz The Journal of Organic Chemistry 83 (2), 964-972, 2018 | 16 | 2018 |

Theoretical study of the initial non-radiative 1 Bu→ 2 Ag transition in the fluorescence quenching of s-trans-butadiene: Electronic structure methods and quantum dynamics A Komainda, D Lefrancois, A Dreuw, H Köppel Chemical Physics 482, 27-38, 2017 | 15 | 2017 |

Spin the light off: rapid internal conversion into a dark doublet state quenches the fluorescence of an RNA spin label H Gustmann, D Lefrancois, AJ Reuss, DB Gophane, M Braun, A Dreuw, ... Physical Chemistry Chemical Physics 19 (38), 26255-26264, 2017 | 12 | 2017 |

Development of Single-reference Algebraic-diagrammatic Construction Methods for the Treatment of Systems with Multi-reference Character D Lefrancois Ruprecht-Karls-Universität Heidelberg, 2017 | | 2017 |

Ruprecht-Karls University Heidelberg D Lefrancois | | |