Projects per year
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Dive into the research topics where Unit of theoretical and structural physico-chemistry is active. These topic labels come from the works of this organisation's members. Together they form a unique fingerprint.
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Profiles
Projects
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Kinetic Monte Carlo modelling of interlocked catenane formation
Datta, A., Das, A. & LEHERTE, L.
19/03/21 → …
Project: Research
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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
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Design of biocontrolled pesticides based on detrimental insects trehalase inhibiton
Neyman, V., Michaux, C. & Francis, F.
1/10/20 → 31/12/21
Project: Research
Research output
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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 AccessFile -
Copper(ii) complexes with tridentate halogen-substituted Schiff base ligands: synthesis, crystal structures and investigating the effect of halogenation, leaving groups and ligand flexibility on antiproliferative activities
Kordestani, N., Amiri Rudbari, H., Fernandes, A. R., Raposo, L. R., Luz, A., Baptista, P. V., Bruno, G., Scopelliti, R., Fateminia, Z., Micale, N., Tumanov, N., Wouters, J., Abbasi Kajani, A. & Bordbar, A. K., 21 Mar 2021, In: Dalton Transactions. 50, 11, p. 3990-4007 18 p.Research output: Contribution to journal › Article › peer-review
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Difluorodithieno[3,2-a:2′,3′-c]phenazine as a strong acceptor for materials displaying thermally activated delayed fluorescence or room temperature phosphorescence
Cardeynaels, T., Paredis, S., Danos, A., Harrison, A., Deckers, J., Brebels, S., Lutsen, L., Vanderzande, D., Monkman, A. P., Champagne, B. & Maes, W., 23 Mar 2021, (E-pub ahead of print) In: Dyes and pigments. 190, 109301.Research output: Contribution to journal › Article › peer-review
Open AccessFile
Activities
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Molecular Simulation (Journal)
Laurence LEHERTE (Peer reviewer)
10 Jun 2021Activity: Publication peer-review and editorial work types › Publication peer-review
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Journal of Molecular Graphics and Modelling (Journal)
Laurence LEHERTE (Peer reviewer)
25 Mar 2021Activity: Publication peer-review and editorial work types › Publication peer-review
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11th Belgian Crystallography Symposium (BCS-11)
Laurence LEHERTE (Poster)
17 Mar 2021Activity: Participating in or organising an event types › Participation to a Symposium, a study Day
Prizes
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best oral communication award
MEINGUET, Celine (Recipient), 5 Jun 2013
Prize: Prize (including medals and awards)
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Bourse de recherche scientifique de l'OTAN
LEHERTE, Laurence (Recipient), 1 Apr 1993
Prize: Fellowship awarded competitively
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Press / Media
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Broadening TDO's base
Eduard Dolusic, Raphaël Frederick, Bernard Masereel & Johan Wouters
23/02/12
1 item of Media coverage
Press/Media: Expert Comment
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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
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Cancer: Des chercheurs namurois innovent.
Eduard Dolusic, Raphaël Frederick, Bernard Masereel & Johan Wouters
3/02/12
1 item of Media coverage
Press/Media: Other
Datasets
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CCDC 984565: Experimental Crystal Structure Determination
Filinchuk, Y. (Contributor), George, F. (Contributor), Leyssens, T. (Contributor), NORBERG, B. (Contributor), Robeyns, K. (Contributor), Tumanov, N. (Contributor) & Wouters, J. (Contributor), Cambridge Crystallographic Data Centre, 1 Jan 2014
DOI: 10.5517/cc121j5t, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/cc121j5t&sid=DataCite
Dataset
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CCDC 883553: Experimental Crystal Structure Determination
Binnemans, K. (Contributor), Brooks, N. R. (Contributor), Vander Hoogerstraete, T. (Contributor), NORBERG, B. (Contributor), Van Hecke, K. (Contributor), Van Meervelt, L. (Contributor) & Wouters, J. (Contributor), Cambridge Crystallographic Data Centre, 1 Jan 2013
DOI: 10.5517/ccyndqp, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccyndqp&sid=DataCite
Dataset
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CCDC 1061024: 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/cc14m2lf, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/cc14m2lf&sid=DataCite
Dataset
Student theses
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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 2004Supervisor: Durant, F. (Supervisor), Andre, J. (Jury), Hevesi, L. (Jury), Wouters, J. (Jury) & Burny, A. (External person) (Jury)
Student thesis: Doc types › Doctor of Sciences
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Apport de la chimie calculatoire à la modélisation de diagrammes de phases.
Author: Fontaine, M., 2003Supervisor: 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
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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 2019Supervisor: 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
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