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The Journal of Physical Chemistry. B|April 21, 2018
ONIOM Investigation of the Second-Order Nonlinear Optical Responses of Fluorescent ProteinsMarc de Wergifosse, Edith Botek, Evelien De Meulenaere, et al.The Journal of Chemical Physics|April 17, 2017
Two-photon absorption spectroscopy of trans-stilbene, cis-stilbene, and phenanthrene: Theory and experimentMarc de Wergifosse, Amanda L Houk, Anna I Krylov, et al.Journal of Computational Chemistry|February 22, 2026
Simplified Time-Dependent DFT for all-Atom Simulations of Second Harmonic Generation Responses: A Case Study on Photoswitchable Azobenzene MonolayersMatt Hugget, Angela Dellai, Philippe Aurel, et al.The Journal of Physical Chemistry. A|May 10, 2013
Challenging compounds for calculating hyperpolarizabilities: p-quinodimethane derivativesMarc de Wergifosse, Frédéric Wautelet, Benoît Champagne, et al.Journal of the American Chemical Society|February 15, 2013
Improving the second-order nonlinear optical response of fluorescent proteins: the symmetry argumentEvelien De Meulenaere, Ngan Nguyen Bich, Marc de Wergifosse, et al.Physical Chemistry Chemical Physics : PCCP|October 19, 2021
Self-assembling, structure and nonlinear optical properties of fluorescent organic nanoparticles in waterLaurie Lescos, Pierre Beaujean, Claire Tonnelé, et al.The Journal of Chemical Physics|September 2, 2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 packageEvgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, et al.Pageof 3