Daniel Lefrancois

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

Evgeny Epifanovsky, Andrew T. B. Gilbert, Xintian Feng et al. · The Journal of Chemical Physics · 2021 · 1.3K citations · Full text

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 et al. · Journal of Chemical Theory and Computation · 2015 · 156 citations · Full text

Linear Intersection Topology, Localized Excited State, Engineering +19

Adapting algebraic diagrammatic construction schemes for the polarization propagator to problems with multi-reference electronic ground states exploiting the spin-flip <i>ansatz</i>

Daniel Lefrancois, Michael Wormit, Andreas Dreuw · The Journal of Chemical Physics · 2015 · 42 citations

The Spin-Flip Variant of the Algebraic-Diagrammatic Construction Yields the Correct Topology of S₁/S₀ Conical Intersections

Daniel Lefrancois, Deniz Tuna, Todd J. Martı́nez et al. · Journal of Chemical Theory and Computation · 2017 · 35 citations

Mechanism of the Photoinduced Uncaging Reaction of Puromycin Protected by a 6-Nitroveratryloxycarbonyl Group

Jörg Kohl‐Landgraf, Florian Buhr, Daniel Lefrancois et al. · Journal of the American Chemical Society · 2014 · 24 citations

Photobiology, Triplet Absorption, Chemistry +20