Unit of theoretical and structural physico-chemistry

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

Postal address
5000
Belgium

Pierre Beaujean
Person: Temporary Scientific Staff, Scientific Staff researcher with a Term Contract, Doctorate in Sciences
20152021
Laurie Bodart
Person: Scientific Staff researcher with a Term Contract, Doctorate in Sciences, Scientific Staff Aspirants, Fellows and Researchers FNRS
20172022
Andrea Bonvicini
- Unit of theoretical and structural physico-chemistry
- Technological Platform High Performance Computing
Person: Scientific Staff PostDoc Scholar

2 Not started
32 Active
194 Finished

Study of the adsorption of diatomic molecules within zeolite A and Y type frameworks
Leherte, L., Vercauteren, D. & Larin, A.
1/08/96 → 31/12/04
Project: Research
Ibuprofen-based microemulsions: potential applications in transdermal delivery
Destree, C. & Wouters, J.
1/10/07 → 30/09/09
Project: PHD
Mixed quantum/classical procedures development for determining non-linear optical properties of condensed phases
CHAMPAGNE, B. & Guillaume, M.
1/10/00 → 1/10/04
Project: PHD

Structural study of bioisosteric derivatives of 5-(1H-indol-3-yl)-benzotriazole and their ability to form chalcogen bonds
MIRGAUX, M., SCAILLET, T., Kozlova, A., Tumanov, N., FREDERICK, R., Bodart, L. & Wouters, J., Apr 2022, In: Acta Crystallographica Section E. 78, 4, p. 418 - 424 7 p.
Research output: Contribution to journal › Article › peer-review

Open Access
Unveiling the relationship between structural and polarization effects on the first hyperpolarizability of a merocyanine dye
Siqueira, Y., Lyra, M., Ramos, T. N., Champagne, B. & Manzoni, V., 7 Jan 2022, In: The journal of chemical physics. 156, 1, 014305.
Research output: Contribution to journal › Article › peer-review

Open Access
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
8 Downloads (Pure)

Virtual Winter School on Computational Chemistry
Laurence Leherte (Participant)
21 Feb 2022 → 24 Feb 2022
Activity: Participating in or organising an event types › Participation to a Symposium, a study Day
Journal of Biomolecular Structure & Dynamics (Journal)
Laurence Leherte (Peer reviewer)
11 Jan 2022
Activity: Publication peer-review and editorial work types › Publication peer-review
Materials (Journal)
Laurence Leherte (Peer reviewer)
3 Jan 2022
Activity: Publication peer-review and editorial work types › Publication peer-review

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 1456341: Experimental Crystal Structure Determination
Buol, X. (Contributor), CARLETTA, A. (Contributor), Champagne, B. (Contributor), Leyssens, T. (Contributor) & Wouters, J. (Contributor), Cambridge Crystallographic Data Centre, 1 Jan 2016
DOI: 10.5517/ccdc.csd.cc1kwfrm, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc1kwfrm&sid=DataCite
Dataset
CCDC 1061045: Experimental Crystal Structure Determination
George, F. (Contributor), Leyssens, T. (Contributor), NORBERG, B. (Contributor) & Wouters, J. (Contributor), Cambridge Crystallographic Data Centre, 1 Jan 2015
DOI: 10.5517/cc14m384, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/cc14m384&sid=DataCite
Dataset
CCDC 1037396: Experimental Crystal Structure Determination
BONIFAZI, D. (Contributor), Bruylants, G. (Contributor), De Leo, F. (Contributor), Georgiou, I. (Contributor), Kervyn, S. (Contributor), ROSSIGNON, A. (Contributor) & Wouters, J. (Contributor), Cambridge Crystallographic Data Centre, 1 Jan 2017
DOI: 10.5517/ccdc.csd.cc13thdt, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc13thdt&sid=DataCite
Dataset

Caractérisation de désaturases et d’élongases impliquées dans le métabolisme lipidique de la perche commune (Perca fluviatilis)
Author: Tinti, E., 29 Nov 2019
Supervisor: Perpète, E. (Supervisor), Kestemont, P. (Co-Supervisor), Silvestre, F. (President), Michaux, C. (Jury), Alemán, C. (External person) (Jury) & Francis, F. (External person) (Jury)
Student thesis: Doc types › Doctor of Sciences

File
Characterization of the anticancer properties of hydroxamate-based histone deacetylase inhibitors
Author: Lernoux, M., 22 Nov 2019
Supervisor: Schnekenburger, M. (External person) (Supervisor), DIEDERICH, M. (External person) (Co-Supervisor), Michiels, C. (Co-Supervisor), Arnould, T. (President), Sonveaux, P. (External person) (Jury), Wouters, J. (Jury), Gillet, J. (Jury) & Dicato, M. (External person) (Jury)
Student thesis: Doc types › Doctor of Biomedical and Pharmaceutical Sciences

File
Conception, synthèse, caractérisation, évaluation pharmacologique et études in vivo de dérivés de l'harmine en tant que nouvelles molécules aux propriétés anticancéreuses.
Author: Meinguet, C., 25 Sep 2015
Supervisor: Wouters, J. (Supervisor), Vercauteren, D. (President), Masereel, B. (Jury), Lanners, S. (Jury), Willand, N. (External person) (Jury) & Mathieu, V. (External person) (Jury)
Student thesis: Doc types › Doctor of Sciences

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