Benoît CHAMPAGNE

Full Professor

University of Namur

Belgium

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Dr. Benoît CHAMPAGNE is a Full Professor at the University of Namur in Belgium. His research primarily focuses on quantum chemistry and nonlinear optical properties, with recent work investigating the hyperpolarizabilities of molecules in solution and the second-order nonlinear optical properties of various molecular structures. He has authored several articles on topics including molecular switches and circularly polarized luminescence, contributing significantly to the understanding of molecular interactions and properties.

Benoît CHAMPAGNE

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Articles (30)

Quantum chemical investigation of a multistate multifunctional molecular switch triggered by two-photon absorption

Modeling second harmonic generation at alcohol/air interfaces. A molecular multi-layer approach

A Hybrid Scheme for Calculating Correlated and Frequency-Dependent First and Second Hyperpolarizabilities of Molecules in Solution: A Case Study on Para-Disubstituted Benzene Derivatives

Influence of symmetry on the second-order NLO properties: insights from the few state approximations

Erratum: “First-principles evaluation of the second harmonic generation response of reference organic and inorganic crystals” [J. Chem. Phys. 158, 064707 (2023)]

Bonding Evolution Theory Study of the [3+2] Cycloaddition Reaction Between Benzonitrile Oxide and Ethylenic Derivatives

Acid/Base‐Responsive Circularly Polarized Luminescence Emitters with Configurationally Stable Nitrogen Stereogenic Centers

pyHRSOA and pyTHSOA: Postprocessing Codes for the Computation of Second and Third‐Order Scattering Optical Activities

Robust binding energy distribution sampling on amorphous solid water models

Binding Energies of Molecules Grafted onto Calcium Surfaces: A Periodic DFT Investigation

Bridge improvement work: maximising non-linear optical performance in polyoxometalate derivatives

Simulating Vibronic Spectra by Direct Application of Doktorov Formulas on a Superconducting Quantum Simulator

Quantum Chemical Study of a Dihydroazulene‐Spiropyran Multi‐State Multi‐Functional Molecular Switch

Disentangling the molecular polarizability and first hyperpolarizability of methanol–air interfaces

Earth Mover’s Charge Transfer Distance: A General and Robust Approach for Describing Excited State Locality

Multimillion Atom Simulations of Di-8-ANEPPS Chromophores Embedded in a Model Plasma Membrane: Toward the Investigation of Realistic Dyed Cell Membranes

Simple scaling of the empirical London dispersion corrections in DFT geometry optimizations of prototypical nonlinear optical crystals

In silico investigation of the interaction between α-synuclein aggregates and organic supramolecular assemblies

Isomeric modulation of thermally activated delayed fluorescence in dibenzo[a,c]phenazine-based (deep) red emitters

On the third-order nonlinear optical responses of cis and trans stilbenes – a quantum chemistry investigation

A quantum chemical investigation of the second hyperpolarizability of p-nitroaniline

Influence of the Nature of the Lipid Building Blocks on the Second-Order Nonlinear Optical Responses of an Embedded Di-8-ANEPPS Probe

Electrochemically‐Switched 2nd Order Non‐Linear Optical Response in an Arylimido‐Polyoxometalate with High Contrast and Cyclability

Electrochemically‐Switched 2nd Order Non‐Linear Optical Response in an Arylimido‐Polyoxometalate with High Contrast and Cyclability

Third-harmonic scattering optical activity: QED theory, symmetry considerations, and quantum chemistry applications in the framework of response theory

Cover Feature: Second Harmonic Generation Signatures of Supramolecular Assemblies Based on Amide Moieties (ChemPhysChem 13/2023)

Second Harmonic Generation Signatures of Supramolecular Assemblies Based on Amide Moieties

Investigating the Mechanism of the Catalytic Intramolecular Aza-Wittig Reaction Involved in the Synthesis of 2-Methylbenzothiazole from the Perspective of Bonding Evolution Theory

Hyper-Rayleigh scattering optical activity: Theory, symmetry considerations, and quantum chemistry applications

First-principles evaluation of the second harmonic generation response of reference organic and inorganic crystals

Collaborators (13)

Tárcius N. Ramos

Vicent Sixte Safont Villarreal

Kayn Forbes

Pierre Beaujean

Lorenzo Maschio

John Fielden

Noah Deveaux

Koen Clays

Armand Soldera

Victor Blanco

Yves Dory

Frederic Castet

Fraser MacMillan

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