Unit of theoretical and structural physico-chemistry

Phone081724550
Websitehttp://directory.unamur.be/entities/ucpts?_LOCALE_=en

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Belgium

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Benoit CHAMPAGNE
Person: Academic staff
19712021
Mathieu FOSSEPRE
- NAmur MEdicine & Drug Innovation Center
- Unit of theoretical and structural physico-chemistry
Person: Scientific Staff FRIA Scholar
20102018
Mathias Fraiponts
- Unit of theoretical and structural physico-chemistry
- Technological Platform High Performance Computing
Person: Scientific Staff Scolar PhD

2 Not started
32 Active
182 Finished

Metallomimetic CH bond activations of methane by frustrated Lewis pairs and bifunctional catalysts
Berionni, G., Chardon, A. & CHAMPAGNE, B.
1/01/21 → 31/12/24
Project: Research
Structural study of Lactate Dehydrogenase, a target for the design of new anticancer agents
VAN GYSEL, M. & WOUTERS, J.
1/10/20 → 30/09/22
Project: Research
Design of biocontrolled pesticides based on detrimental insects trehalase inhibiton
Neyman, V., Michaux, C. & Francis, F.
1/10/20 → 31/12/21
Project: Research

Benzo[1,2-b:4,5-b']dithiophene as a weak donor component for push-pull materials displaying thermally activated delayed fluorescence or room temperature phosphorescence
Cardeynaels, T., Paredis, S., Danos, A., Vanderzande, D., Monkman, A. P., Champagne, B. & Maes, W., Feb 2021, In: Dyes and pigments. 186, 109022.
Research output: Contribution to journal › Article › peer-review

Open Access
File
30 Downloads (Pure)
Molecular Mechanism for the Self-supported Synthesis of Graphitic Carbon Nitride from Urea Pyrolysis
Mukhopadhyay, T. K., Leherte, L. & Datta, A., 2021, In: The Journal of Physical Chemistry Letters. 12, p. 1396-1406 11 p.
Research output: Contribution to journal › Article › peer-review
Multiresolution non-covalent interaction analysis for ligand-protein promolecular electron density distributions
Leherte, L., 2021, In: Theoretical Chemistry Accounts. 140, 1, 13 p., 9.
Research output: Contribution to journal › Article › peer-review

375 Participation in conference
65 Participation in workshop, seminar, course
62 Participation to a Symposium, a study Day
55 External Thesis
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Jury de thèse intitulée "New organic and hybrid organic/inorganic materials with intriguing solid state optoelectronic properties" de Andrea PREVITALI
Benoit CHAMPAGNE (Jury Member)
22 Jan 2021
Activity: Examination types › Examination
Molecules (Journal)
Laurence LEHERTE (Peer reviewer)
8 Dec 2020
Activity: Publication peer-review and editorial work types › Publication peer-review
Jury de thèse intitulée "Diverging from the beaten track - rational design of thermally activated fluorescence emitters inspired by different fields of organic electronics" de Tom CARDEYNAELS
Benoit CHAMPAGNE (Jury Member)
27 Nov 2020
Activity: Examination types › Examination

best oral communication award
MEINGUET, Celine (Recipient), 5 Jun 2013
Prize: Prize (including medals and awards)
Bourse de recherche scientifique de l'OTAN
LEHERTE, Laurence (Recipient), 1 Apr 1993
Prize: Fellowship awarded competitively
Chemistry Europe Fellow 2018-2019
CHAMPAGNE, Benoit (Recipient), 2020
Prize: Honorary degree

Broadening TDO's base
Eduard Dolusic, Raphaël Frederick, Bernard Masereel & Johan Wouters
23/02/12
1 item of Media coverage
Press/Media: Expert Comment
Une avancée considérable contre la cancer
Eduard Dolusic, Raphaël Frederick, Bernard Masereel & Johan Wouters
7/02/12
1 item of Media coverage
Press/Media: Other
Cancer: Des chercheurs namurois innovent.
Eduard Dolusic, Raphaël Frederick, Bernard Masereel & Johan Wouters
3/02/12
1 item of Media coverage
Press/Media: Other

CCDC 1047104: Experimental Crystal Structure Determination
Delaude, L. (Contributor), Demonceau, A. (Contributor), Hans, M. (Contributor) & WOUTERS, J. (Contributor), Cambridge Crystallographic Data Centre, 1 Jan 2015
DOI: 10.5517/cc144lkf, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/cc144lkf&sid=DataCite
Dataset
CCDC 197146: Experimental Crystal Structure Determination
Bouchard, G. (Contributor), Carrupt, P. (Contributor), Happaerts, T. (Contributor), Lambert, D. M. (Contributor), Ooms, F. (Contributor), Oscari, O. (Contributor), Testa, B. (Contributor) & WOUTERS, J. (Contributor), Cambridge Crystallographic Data Centre, 1 Jan 2003
DOI: 10.5517/cc6m4kh, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/cc6m4kh&sid=DataCite
Dataset
CCDC 1021624: Experimental Crystal Structure Determination
Colaço, M. (Contributor), DUBOIS, J. (Contributor) & WOUTERS, J. (Contributor), Cambridge Crystallographic Data Centre, 1 Jan 2015
DOI: 10.5517/cc1392m3, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/cc1392m3&sid=DataCite
Dataset

Analyse et modélisation de nouveaux inhibiteurs non nucléosidiques de la transcriptase inverse du virus de l'immunodéficience humaine de type 1 (VIH-1)
Author: Boland, S., 27 Feb 2004
Supervisor: Durant, F. (Supervisor), Andre, J. (Jury), Hevesi, L. (Jury), Wouters, J. (Jury) & Burny, A. (External person) (Jury)
Student thesis: Doc types › Doctor of Sciences

File
Apport de la chimie calculatoire à la modélisation de diagrammes de phases.
Author: Fontaine, M., 2003
Supervisor: Andre, J. (Supervisor), Perpete, É. (Jury), Sporken, R. (Jury), ADJIMAN, C. (External person) (Jury) & Charlot, M. (External person) (Jury)
Student thesis: Doc types › Doctor of Sciences
Approche structurale et fonctionnelle de la première enzyme de la voie de la sérine: PHGDH, une cible potentielle pour le traitement du cancer
Author: Themans, Q., 18 Oct 2019
Supervisor: Wouters, J. (Supervisor), Leherte, L. (President), Unterlass, J. (External person) (Jury), Sirigu, S. (External person) (Jury) & Röhrig, U. (External person) (Jury)
Student thesis: Doc types › Doctor of Sciences

File