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The Journal of Chemical Physics|May 24, 2015
Frequency dispersion of the first hyperpolarizabilities of reference molecules for nonlinear opticsMarc de Wergifosse, Frédéric Castet, Benoît ChampagnePhysical Chemistry Chemical Physics : PCCP|March 12, 2014
Assessing long-range corrected functionals with physically-adjusted range-separated parameters for calculating the polarizability and the second hyperpolarizability of polydiacetylene and polybutatriene chainsSébastien Nénon, Benoît Champagne, Milena I SpassovaThe Journal of Physical Chemistry. A|May 16, 2024
Simulating Vibronic Spectra by Direct Application of Doktorov Formulas on a Superconducting Quantum SimulatorRenato Olarte Hernandez, Benoît Champagne, Armand SolderaThe Journal of Physical Chemistry. A|June 21, 2016
Unraveling the Concerted Reaction Mechanism of the Noncatalyzed Mukaiyama Reaction between C,O,O-Tris(trimethylsilyl)ketene Acetal and Aldehydes Using Density Functional TheorySlim Hadj Mohamed, Mahmoud Trabelsi, Benoît ChampagnePhysical Chemistry Chemical Physics : PCCP|May 8, 2024
On the third-order nonlinear optical responses of <i>cis</i> and <i>trans</i> stilbenes - a quantum chemistry investigationKomlanvi Sèvi Kaka, Frédéric Castet, Benoît ChampagneThe Journal of Physical Chemistry. A|April 19, 2007
Theoretical study on the second hyperpolarizabilities of phenalenyl radical systems involving acetylene and vinylene linkers: diradical character and spin multiplicity dependencesSuguru Ohta, Masayoshi Nakano, Takashi Kubo, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|November 7, 2006
Theoretical determination of the vibrational Raman optical activity signatures of helical polypropylene chainsEwa Lamparska, Vincent Liégeois, Olivier Quinet, et al.The Journal of Physical Chemistry. B|February 28, 2020
Second-Order Nonlinear Optical Properties of an Amphiphilic Dye Embedded in a Lipid Bilayer. A Combined Molecular Dynamics-Quantum Chemistry StudyCharlotte Bouquiaux, Claire Tonnelé, Frédéric Castet, et al.Accounts of Chemical Research|December 5, 2022
Predicting the Second-Order Nonlinear Optical Responses of Organic Materials: The Role of DynamicsFrédéric Castet, Claire Tonnelé, Luca Muccioli, et al.ACS Omega|January 20, 2025
DFT Investigation of the Stereoselectivity of the Lewis-Acid-Catalyzed Diels-Alder Reaction between 2,5-Dimethylfuran and AcroleinMohamed Chellegui, Mahmoud Trabelsi, Benoît Champagne, et al.Pageof 21