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The Journal of Physical Chemistry. B|November 10, 2025
Quantum Chemistry Investigation of Equilibria of Molecular Switches in Solution: Thermodynamics and UV/Visible Absorption SpectraFreddy Zutterman, Jean Quertinmont, Benoît ChampagneThe Journal of Chemical Physics|February 15, 2023
First-principles evaluation of the second harmonic generation response of reference organic and inorganic crystalsFrançois Mairesse, Lorenzo Maschio, Benoît ChampagneThe Journal of Chemical Physics|April 21, 2005
Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell pi-conjugated systemsBenoit Champagne, Edith Botek, Masayoshi Nakano, et al.The Journal of Physical Chemistry. A|February 6, 2018
DFT Investigation of the Diastereoselectivity of the MX<sub>2</sub> and MX<sub>3</sub> Lewis-Acid-Catalyzed Mukaiyama Aldol Reaction between C,O,O-Tris(trimethylsilyl)ketene Acetal and AldehydesSlim Hadj Mohamed, Benoît Champagne, Mahmoud TrabelsiPhysical Chemistry Chemical Physics : PCCP|January 6, 2026
A hybrid classical-quantum algorithm to simulate ECD spectra - the case of tryptophan zwitterions in waterRenato Olarte Hernandez, Armand Soldera, Benoît ChampagneThe Journal of Physical Chemistry. B|September 3, 2025
A Hybrid Scheme for Calculating Correlated and Frequency-Dependent First and Second Hyperpolarizabilities of Molecules in Solution: A Case Study on Para-Disubstituted Benzene DerivativesKomlanvi Sèvi Kaka, Benoît Champagne, Frédéric CastetJournal of Chemical Information and Modeling|April 14, 2020
Unraveling the Electric Field-Induced Second Harmonic Generation Responses of Stilbazolium Ion Pairs Complexes in Solution Using a Multiscale Simulation MethodTárcius N Ramos, Sylvio Canuto, Benoît ChampagneThe Journal of Physical Chemistry. B|March 26, 2021
Second Harmonic Generation Responses of Ion Pairs Forming Dimeric AggregatesTárcius N Ramos, Frédéric Castet, Benoît ChampagneThe Journal of Chemical Physics|July 14, 2026
A refined general AMBER force field for liquid acetonitrile: Development and validationNoah Deveaux, Benoît Champagne, Tárcius N RamosThe Journal of Physical Chemistry. A|December 24, 2024
Vibronic Structure of the UV/Visible Absorption Spectra of Phenol and Phenolate: A Hybrid Density Functional Theory─Doktorov's Quantum Algorithm ApproachRenato Olarte Hernandez, Armand Soldera, Benoît ChampagnePageof 21