Unit of theoretical and structural physico-chemistry

  • 5000

    Belgium

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
Conformations Chemical Compounds

Network Recent external collaboration on country level. Dive into details by clicking on the dots.

Projects 1971 2022

Research Output 1975 2019

Switching of the Second-Order Nonlinear Optical Properties of Ferrocene-Containing Indolino-Oxazolidine Derivative

PIELAK, K., Bondu, F., Sanguinet, L., Rodriguez, V., Castet, F. & Champagne, B., 2019, In : Dyes and pigments. 160, p. 641-646

Research output: Contribution to journalArticle

1-(2-Hydroxybenzoyl)-thiosemicarbazides are promising antimicrobial agents targeting D-alanine-D-alanine ligase in bacterio

Ameryckx, A., Thabault, L., Pochet, L., Leimanis, S., Poupaert, J., Wouters, J., Joris, B., Van Bambeke, F. & Frederick, R., 2018, In : European journal of medicinal chemistry / Chimica therapeutica. 159, 5

Research output: Contribution to journalArticle

Open Access

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 journalArticle

Inorganic acids
Stabilization
stabilization
solid state
acids

Activities 1987 2018

Annual One-Day Meeting on Medicinal Chemistry - MedChem2018

Laurence Leherte (Poster)
23 Nov 2018

Activity: Participating in or organising an event typesParticipation in conference

Quantum Chemistry and Computational Modelling section of the 2018 Norwegian National Meeting in Chemistry

Vincent Liegeois (Invited Speaker)
17 Oct 2018

Activity: Participating in or organising an event typesParticipation in conference

UMR 6200 CNRS

Jean Quertinmont (Visiting researcher), Pierre Beaujean (Visiting researcher), Benoît Champagne (Visiting researcher)
11 Sep 201814 Sep 2018

Activity: Visiting an external institution typesVisiting an external academic institution

Press / Media

Graduation: 4:30 p.m. May 31 at Toyota Center in...

Jean-Marie Andre

31/05/13

1 item of media coverage

Press/Media: Expert Comment

Hanford High School Class of 2013

Jean-Marie Andre

29/05/13

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

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 2004

Supervisor: Durant, F. (Supervisor), Andre, J. (Jury), Hevesi, L. (Jury), Wouters, J. (Jury) & Burny, A. (External person) (Jury)

Student thesis: Doc typesDoctor of Sciences

File

Apport de la chimie calculatoire à la modélisation de diagrammes de phases.

Author: Fontaine, M., 2003

Supervisor: Andre, J. (Supervisor), Perpete, É. (Jury), Sporken, R. (Jury), ADJIMAN, C. (External person) (Jury) & Charlot, M. (External person) (Jury)

Student thesis: Doc typesDoctor 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 2006

Supervisor: 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 typesDoctor of Sciences

File