Unit of theoretical and structural physico-chemistry

  • 5000

    Belgium

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.

Projects 1971 2024

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 journalArticle

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 journalArticle

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 journalArticle

Coloring
Complexation
Metals
solid state
metals

Activities 1987 2019

Neha Tripathi

Laurence Leherte (Host)
7 Oct 20199 Oct 2019

Activity: Hosting a visitor typesHosting a researcher

The Journal of Physical Chemistry C (Journal)

Laurence Leherte (Peer reviewer)
9 Oct 2019

Activity: Publication peer-review and editorial work typesPublication peer-review

Adèle Laurent

Laurence Leherte (Host)
7 Oct 20199 Oct 2019

Activity: Hosting a visitor typesHosting a researcher

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