Benoit Champagne
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Explore the profile of Benoit Champagne including associated specialties, affiliations and a list of published articles.
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201
Citations
630
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Recent Articles
1.
Doan T, Chardon A, Vanthuyne N, Ramos T, Tumanov N, Fusaro L, et al.
Angew Chem Int Ed Engl
. 2025 Feb;
:e202421931.
PMID: 39969421
The synthesis, properties and structural requirements for atropisomerism at the C-B bond in boron Lewis acids such as triarylboranes have been understudied so far. We report the first series of...
2.
Chellegui M, Trabelsi M, Champagne B, Liegeois V
ACS Omega
. 2025 Jan;
10(1):833-847.
PMID: 39829578
Density functional theory (DFT) has been enacted to study the Diels-Alder reaction between 2,5-dimethylfuran (2,5-DMF), a direct product of biomass transformation, and acrolein and to analyze its thermodynamics, kinetics, and...
3.
Chellegui M, Adjieufack A, Trabelsi M, Liegeois V, Champagne B, Champagne B
Chemphyschem
. 2025 Jan;
:e202400896.
PMID: 39812552
The [4+2] Diels-Alder cycloaddition reaction between 2,5-DMF (1) and ethylene derivatives (2 a-h) activated by electron-withdrawing groups has been studied at the density functional theory level using a panoply of...
4.
Olarte Hernandez R, Soldera A, Champagne B
J Phys Chem A
. 2024 Dec;
129(1):396-406.
PMID: 39718998
The Doktorov's quantum algorithm has been enacted in combination with time-dependent density functional theory (TD-DFT) to simulate the vibronic structure of the UV/visible absorption spectra of the phenol and phenolate...
5.
Dellai A, Krismer I, Prampolini G, Champagne B, Ramos T, Castet F
Phys Chem Chem Phys
. 2024 Dec;
27(2):672-686.
PMID: 39665533
The effect of conformational dynamics and solvent interactions on the second-order nonlinear optical (NLO) responses of the open and closed forms of a donor-acceptor Stenhouse adduct (DASA) are investigated by...
6.
Hood B, de Coene Y, Jones C, Lopez Poves I, Deveaux N, Halcovitch N, et al.
Inorg Chem
. 2024 Dec;
63(51):24250-24261.
PMID: 39642301
We present the first study of arylimido-polyoxometalate nonlinear optical (NLO) chromophores with two-dimensional (2D) structures, and a comparison with one-dimensional analogues, through the synthesis of a family of arylimido-hexamolybdate derivatives...
7.
Legat T, Mairesse F, Dok A, de Coene Y, Thielemans W, Champagne B, et al.
J Mater Chem B
. 2024 Dec;
13(3):1024-1036.
PMID: 39629673
Cellulose nanocrystals (CNCs) have attracted considerable interest due to their optical properties, though their nonlinear optical behavior remains largely unexplored. In this paper, we investigate the second-order nonlinear optical (SONLO)...
8.
Bonvicini A, Champagne B
Phys Chem Chem Phys
. 2024 Oct;
26(41):26377-26388.
PMID: 39387117
In this work, the HRS-OA circular differential scattering ratios of medium-size chiral molecules, -carvone and (1,5)-α-pinene, has been computed by means of TD-DFT calculations. The results have been discussed as...
9.
Bonvicini A, Champagne B
J Comput Chem
. 2024 Jul;
45(30):2547-2557.
PMID: 38989959
In this work, the theory of the modified unit sphere representation (mUSR) has been proposed as a computational tool suitable for the three-dimensional representation of the pure electric-dipole [ ]...
10.
Saida A, Mahaut D, Tumanov N, Wouters J, Champagne B, Vanthuyne N, et al.
Angew Chem Int Ed Engl
. 2024 May;
63(32):e202407503.
PMID: 38781114
Sterically hindered pyridines embedded in a three-dimensional triptycene framework have been synthesized, and their resolution by chiral HPLC enabled access to unprecedented enantiopure pyridines exceeding the known steric limits. The...