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.
Collaborations and top research areas from the last five years
Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
Profiles
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NLO molecular switches "in all their states": from solutions to functionalized surfaces and solids
Deveaux, N. (PI) & Champagne, B. (Supervisor)
1/10/25 → 30/09/27
Project: Research
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Ultrafast photo-induced electron transfer in solution and at metal oxide interfaces
Troian-Gautier, L. (PI), ELIAS, B. (CoI) & Olivier, Y. (CoPI)
1/06/25 → 31/05/28
Project: Research
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CECI-HPC: Partnership for High-Performance Computing Infrastructures in FWB
Chatelain, P. (PI), Bontempi, G. (CoPI), Beljonne, D. (CoPI), Champagne, B. (CoPI) & Geuzaine , C. (CoPI)
1/06/25 → 31/05/31
Project: Research
Research output
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Ab initio simulations of color centers in diamond
Guillaume, E. Y., Melan, E. A. & Vanpoucke, D. E. P., 1 Jan 2025, Nanophotonics with Diamond and Silicon Carbide for Quantum Technologies. Elsevier, p. 77-99 23 p.Research output: Contribution in Book/Catalog/Report/Conference proceeding › Chapter
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Acid/Base-Responsive Circularly Polarized Luminescence Emitters with Configurationally Stable Nitrogen Stereogenic Centers
García-Cerezo, P., Codesal, M. D., David, A. H. G., Le Bras, L., Abid, S., Li, X., Miguel, D., Kazem-Rostami, M., Champagne, B., Campaña, A. G., Stoddart, J. F. & Blanco, V., 24 Jul 2025, In: Advanced materials. 37, 29, 2417326.Research output: Contribution to journal › Article › peer-review
Open AccessFile3 Downloads (Pure) -
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
Kaka, K. S., Champagne, B. & Castet, F., 18 Sept 2025, The Journal of Physical Chemistry B: Liquids; Chemical and Dynamical Processes in Solution, 129, 37, p. 9457-9468 12 p.Research output: Contribution to specialist publication › Article
Activities
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NISM Annual Meeting 2025
Liegeois, V. (Organiser)
15 Dec 2025Activity: Participating in or organising an event types › Participation in conference
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2025 SRC Scientific Day - "Digital Chemistry"
Liegeois, V. (Contributor)
23 Oct 2025Activity: Participating in or organising an event types › Participation in conference
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Main-Group Elements Reactivity Conference
Beaujean, P. (Contributor)
10 Sept 2025Activity: Participating in or organising an event types › Participation in conference
Prizes
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best oral communication award
Meinguet, C. (Recipient), 5 Jun 2013
Prize: Prize (including medals and awards)
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Bourse de recherche scientifique de l'OTAN
Leherte, L. (Recipient), 1 Apr 1993
Prize: Fellowship awarded competitively
Press/Media
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New Science Study Results from University of Namur Described [Increasing Cage Escape Yields for Halide Oxidation in Aqueous Solutions Using Ir(III) Photosensitizers with p-Extended Aromatic Ligands]
3/02/26
1 item of Media coverage
Press/Media: Expert Comment
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Researchers at University of Namur Report Findings in Lactate Dehydrogenases (Unveiling the enzymatic activity of a dimeric LDH isoform and its implications for allosteric inhibition strategies)
24/11/25
1 item of Media coverage
Press/Media: Expert Comment
Datasets
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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
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CCDC 1063171: 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.cc14p9vz, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc14p9vz&sid=DataCite
Dataset
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CCDC 273358: Experimental Crystal Structure Determination
Muccioli, G. (Contributor), Wouters, J. (Contributor), Charlier, C. (Contributor), Scriba, G. K. E. (Contributor), Pizza, T. (Contributor), Di Pace, P. (Contributor), De Martino, P. (Contributor), Poppitz, W. (Contributor), Poupaert, J. H. (Contributor) & Lambert, D. M. (Contributor), Cambridge Crystallographic Data Centre, 1 Jan 2007
DOI: 10.5517/cc95g0x, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/cc95g0x&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)
Boland, S. (Author), Durant, F. (Supervisor), Andre, J.-M. (Jury), Hevesi, L. (Jury), Wouters, J. (Jury) & Burny, A. (Jury), 27 Feb 2004Student thesis: Doc types › Doctor of Sciences
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Apport de la chimie calculatoire à la modélisation de diagrammes de phases.
Fontaine, M. (Author), Andre, J.-M. (Supervisor), Perpete, É. (Jury), Sporken, R. (Jury), ADJIMAN, C. (Jury) & Charlot, M. (Jury), 2003Student 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
Themans, Q. (Author), Wouters, J. (Supervisor), Leherte, L. (President), Unterlass, J. (Jury), Sirigu, S. (Jury) & Röhrig, U. (Jury), 18 Oct 2019Student thesis: Doc types › Doctor of Sciences
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