Projects per year
Fingerprint The fingerprint is based on mining the text of the scientific documents related to the associated persons. Based on that an index of weighted terms is created, which defines the key subjects of research unit
Molecules
Chemical Compounds
Density functional theory
Chemical Compounds
Derivatives
Chemical Compounds
Polyacetylenes
Chemical Compounds
Optical properties
Chemical Compounds
molecules
Physics & Astronomy
density functional theory
Physics & Astronomy
Electron correlations
Chemical Compounds
Network
Recent external collaboration on country level. Dive into details by clicking on the dots.
Profiles
Projects 1971 2022
DoIFAD: Design Of peptide Inhibitors Fighting Autoimmune Disease
Leherte, L., Laurent, A., Vercauteren, D. & Jacquemin, D.
1/01/18 → …
Project: Research
CÉCI – Consortium of high performance computing centers
Champagne, B., Lazzaroni, R., Geuzaine , C., Chatelain, P. & Knaepen, B.
1/01/18 → 31/12/19
Project: Research
Cocrystals as an alternative to combination drugs: cocrystallization, physico-chemical characterization and structural determination of cocrystallized active pharmaceutical ingredients
1/10/17 → 26/09/19
Project: Research › Dissertation project, Research
Research Output 1975 2018
Acidochromic spiropyran-merocyanine stabilisation in the solid state
Seiler, V. K., Callebaut, K., Robeyns, K., Tumanov, N., Wouters, J., Champagne, B. & Leyssens, T. 1 Jan 2018 In : CrystEngComm. 20, 24, p. 3318-3327 10 p.Research output: Contribution to journal › Article
Inorganic acids
Stabilization
stabilization
solid state
acids
Aromaticity as a Guiding Concept for Spectroscopic Features and Nonlinear Optical Properties of Porphyrinoids
Woller, T., Geerlings, P., De Proft, F., Champagne, B. & Alonso, M. 2018 In : Molecules. p. 1333 28 p.Research output: Contribution to journal › Article
Open Access
File
Assessing the Structure of Octastate Molecular Switches Using 1H NMR Density Functional Theory Calculations
Hadj Mohamed, S., Quertinmont, J., Delbaere, S., Sanguinet, L. & Champagne, B. 25 Jan 2018 In : The Journal of Physical Chemistry C. 122, 3, p. 1800-1808 9 p.Research output: Contribution to journal › Article
Density functional theory
Protons
switches
Switches
Nuclear magnetic resonance
Activities 1987 2018
Thesis of Kornelia PIELAK, "Commutation of Second-Order Nonlinear Optical Responses of Indolino-Oxazolidines : from Molecules in Solution to Functionalized Surfaces"
Champagne, B. (Jury Member)3 Jul 2018
Activity: External Thesis
On the Relationships between Diradical/Multiradical Characters, (Non)Linear Optical Properties, and Magnetic Criteria of Aromaticity : a Theoretical Perspective
Champagne, B. (Speaker)27 Jun 2018 → 28 Jun 2018
Activity: Invited talk
On the Relationships between Diradical/Multiradical Characters, (Non)Linear Optical Properties, and Magnetic Criteria of Aromaticity: a Theoretical Perspective
Champagne, B. (Speaker)12 Jun 2018 → 16 Jun 2018
Activity: Invited talk
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
Graduation: 4:30 p.m. May 31 at Toyota Center in...
31/05/13
1 item of media coverage
Press/Media: Expert Comment
Broadening TDO's base
Eduard Dolusic, Raphaël Frederick, Bernard Masereel & Johan Wouters
23/02/12
1 item of media coverage
Press/Media: Expert Comment
Datasets
CCDC 1037381: Experimental Crystal Structure Determination
Bonifazi, D. (Contributor), Cambridge Crystallographic Data Centre, 1 Jan 2017
DOI: 10.5517/ccdc.csd.cc13tgx9, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc13tgx9&sid=DataCite
Dataset
CCDC 273358: Experimental Crystal Structure Determination
Muccioli, G. (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
CCDC 1061052: Experimental Crystal Structure Determination
George, F. (Contributor), Cambridge Crystallographic Data Centre, 1 Jan 2015
DOI: 10.5517/cc14m3hc, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/cc14m3hc&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. (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), Perpète, E. (Jury), Sporken, R. (Jury), ADJIMAN, C. (Jury) & Charlot, M. (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. (Jury) & Moureau, F. (Jury)
Student thesis: Doc types › Doctor of Sciences
File