Projects per year
Fingerprint 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.
Molecules
Chemical Compounds
Derivatives
Chemical Compounds
Density functional theory
Chemical Compounds
Polyacetylenes
Chemical Compounds
Optical properties
Chemical Compounds
molecules
Physics & Astronomy
density functional theory
Physics & Astronomy
Conformations
Chemical Compounds
Network
Recent external collaboration on country level. Dive into details by clicking on the dots.
Profiles
Projects 1971 2024
Cancer immunotherapy and dual IDO/TDO inhibitors: design, synthesis, physico-chemical and biological characterizations
1/10/19 → 30/09/21
Project: Research
Surfascope: Surface Enhanced Spectroscopy by Second-Principles Calculations
Gonze, X., RIGNANESE, G. M., Henrard, L. & Liégeois, V.
1/10/19 → 30/09/24
Project: Research
Research Output 1975 2019
3D structure of a Brucella melitensis porin: molecular modelling in lipid membranes
Lopes Rodrigues, M., Zanuy, D., Carlos, A., Michaux, C. & Perpète, E., 13 Oct 2019, In : Journal of Biomolecular Structure Dynamics. 37, 15, p. 3923-3935 13 p.Research output: Contribution to journal › Article
Brucella melitensis
Porins
Membrane Lipids
Phosphorylcholine
Proteins
Acido-triggered switching of the second-order nonlinear optical properties of a ferrocenyl-containing indolino-oxazolidine derivative
PIELAK, K., Bondu, F., Sanguinet, L., Rodriguez, V., Castet, F. & Champagne, B., 1 Jan 2019, In : Dyes and pigments. 160, p. 641-646 6 p.Research output: Contribution to journal › Article
Optical properties
Derivatives
Rayleigh scattering
Excited states
Charge transfer
A coloring tool for spiropyrans: Solid state metal-organic complexation: Versus salification
Seiler, V. K., Robeyns, K., Tumanov, N., Cinčić, D., Wouters, J., Champagne, B. & Leyssens, T., 10 Jul 2019, In : CrystEngComm. 21, 33, p. 4925-4933 9 p.Research output: Contribution to journal › Article
Coloring
Complexation
Metals
solid state
metals
Activities 1987 2019
Neha Tripathi
Laurence Leherte (Host)7 Oct 2019 → 9 Oct 2019
Activity: Hosting a visitor types › Hosting a researcher
The Journal of Physical Chemistry C (Journal)
Laurence Leherte (Peer reviewer)9 Oct 2019
Activity: Publication peer-review and editorial work types › Publication peer-review
Adèle Laurent
Laurence Leherte (Host)7 Oct 2019 → 9 Oct 2019
Activity: Hosting a visitor types › Hosting a researcher
Prizes
best oral communication award
Céline Meinguet (Recipient), 5 Jun 2013
Prize: Prize (including medals and awards)
Bourse de recherche scientifique de l'OTAN
Laurence Leherte (Recipient), 1 Apr 1993
Prize: Fellowship awarded competitively
Financement FSR "Simulations de propriétés structurales, énergétiques et dynamiques d'assemblages supramoléculaires constitués de cycloextrines"
Laurence Leherte (Recipient), 2001
Prize: Other distinction
Press / Media
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
Datasets
CCDC 1061023: Experimental Crystal Structure Determination
George, F. (Contributor), Cambridge Crystallographic Data Centre, 1 Jan 2015
DOI: 10.5517/cc14m2kd, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/cc14m2kd&sid=DataCite
Dataset
CCDC 1061024: Experimental Crystal Structure Determination
George, F. (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
CCDC 977389: Experimental Crystal Structure Determination
Leyssens, T. (Contributor), Cambridge Crystallographic Data Centre, 1 Jan 2014
DOI: 10.5517/cc11t1pl, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/cc11t1pl&sid=DataCite
Dataset
Student theses
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
File
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
Caractérisation structurale de la 5-lipoxygénase humaine et de son inhibition: support à la conception rationnelle d'inhibiteurs mixtes 5-LOX-COX-2
Author: Charlier, C., 15 Feb 2006Supervisor: Wouters, J. (Supervisor), Durant, F. (Co-Supervisor), Dogne, J. (Jury), Vercauteren, D. (Jury), Hennichart, J. (External person) (Jury) & Moureau, F. (External person) (Jury)
Student thesis: Doc types › Doctor of Sciences
File