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

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Projects 1971 2024

Research Output 1975 2019

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., 1 Jan 2019, In : CrystEngComm. 21, 33, p. 4925-4933 9 p.

Research output: Contribution to journalArticle

Coloring
Complexation
Metals
solid state
metals

All-polymer solar cells based on photostable bis(perylene diimide) acceptor polymers

Lenaerts, R., Cardeynaels, T., Sudakov, I., Kesters, J., Verstappen, P., Manca, J., Champagne, B., Lutsen, L., Vanderzande, D., Vandewal, K., Goovaerts, E. & Maes, W., 1 Jul 2019, In : Solar Energy Materials and Solar Cells. 196, p. 178-184 7 p.

Research output: Contribution to journalArticle

Perylene
Polymers
Thiophenes
Electrons
Thiophene

Activities 1987 2019

Dynamical Behavior and Second Harmonic Generation Responses of Molecular Switches

Benoît Champagne (Speaker)
1 Sep 20195 Sep 2019

Activity: Talk or presentation typesInvited talk

Thermochromism in Crystals and Co-Crystals - A Quantum Chemistry investigation

Benoît Champagne (Speaker)
25 Aug 201930 Aug 2019

Activity: Talk or presentation typesInvited talk

Ayan Datta

Laurence Leherte (Host)
10 Jul 201915 Jul 2019

Activity: Hosting a visitor typesHosting an academic visitor

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

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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

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