Projects per year
- 50 - 100 out of 250 results
Search results
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Structural, energetic, dynamical, and reactivity properties of molecules in zeolitic frameworks
Leherte, L., Vercauteren, D. & HANSENNE, C.
1/09/91 → 31/12/04
Project: Research
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Study of the adsorption of diatomic molecules within zeolite A and Y type frameworks
Leherte, L., Vercauteren, D. & Larin, A.
1/08/96 → 31/12/04
Project: Research
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Study of shape complementarity in supramolecular systems by topological analysis methods
Leherte, L., Vercauteren, D., Becue, A., Becue, A. & Meurice, N.
1/01/93 → 31/12/04
Project: Research
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Study of the similarity between ligands of pharmacological interest by the development of genetic algorithm methods
Leherte, L., Vercauteren, D. & Meurice, N.
1/09/95 → 31/12/04
Project: PHD
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PMILS: Polymer Molecular Modeling at Integrated Length/Time Scales
Perpete, E., ANDRE, J., FONTAINE, M. & Wathelet, V.
1/05/02 → 30/04/05
Project: Research
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Quantum Chemical Investigation of the Structural and Optical Properties of Fluoroionophores with Ion-Detecting Abilities
Champagne, B. & CAVILLOT, V.
1/09/04 → 31/08/05
Project: Research
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FSR: Simulations of structural, energetic, and dynamical properties of cyclodextrin-based supramolecular assemblies
Leherte, L., Vercauteren, D., BRIQUET, L. & Dury, L.
22/11/01 → 1/10/05
Project: Research
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ANTISIDA: Conception, synthesis, analysis and molecular modeling of new chemical agents with anti HIV-1 activity
DURANT, F., HEVESI, L., Cauvin, C., GEORGES, B. & Le Van, K.
1/09/00 → 31/12/05
Project: Research
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Characterization and development of new techniques based on density functional theory for the determination of non-linear optical properties
Champagne, B., CAVILLOT, V., Jacquemin, D., Perpete, E. & Quinet, O.
1/09/98 → 31/12/05
Project: Research
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Insights into 5-LOX inhibitors binding modes, in order to help in the design of dual 5-LOX/COX-2 inhibitors
DURANT, F., Masereel, B., Wouters, J. & Charlier, C.
1/09/01 → 28/02/06
Project: PHD
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Sanofi: Molecular modeling and crystallography studies of designated compounds for structure -activity optimization
1/09/05 → 31/08/06
Project: Research
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COST-D26/0013: Development of Density Funtional Theory models for an accurate description of electronic properties of materials possessing potential high non-linear optical properties
Jacquemin, D. & Perpete, E.
1/07/02 → 30/09/06
Project: Research
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Ananlysis of transition mechanisms of molecular motors by quantum mechanics
Vercauteren, D. & BRIQUET, L.
1/10/04 → 30/09/06
Project: PHD
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PAI: Quantum size effects in nanostructured materials PAI-P5/01
Lambin, P., Amara, H., B.NAGY, J., FONSECA, A., Foteinopoulou, S., Henrard, L., Mayer, A., Mekhalif, Z., Pireaux, J., Schievekamp, I., Silien, C., SU, B. L., THIRY, P. & Vercauteren, D.
1/01/02 → 31/12/06
Project: Research
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Study by monocrystal X-ray diffraction :obtention of the tridimensional structure and characterisation
DURANT, F., Wouters, J. & NORBERG, B.
1/09/90 → 31/12/06
Project: Research
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COST D26/0010: Experiment-oriented quantum chemistry tools for spectroscopies based on electric, magnetic, and vibrational phenomena
Champagne, B., BOTEK, E., CAVILLOT, V., Guillaume, M., Liegeois, V., Quinet, O. & d'Antuono, P.
1/01/02 → 31/12/06
Project: Research
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PAI P5-03: Belgian National Interuniversity Attraction Poles on Supramolecular Chemistry and Supramolecular Catalysis
ANDRE, J., Champagne, B., BOTEK, E., Jacquemin, D., Spasova, M. & d'Antuono, P.
1/01/02 → 31/12/06
Project: Research
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Theoretical and structural characterization of metals in biological systems
Wouters, J., LEDECQ, M. & Thiry, A.
1/01/05 → 31/08/07
Project: Research
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Theoretical study of Ziegler-Natta catalysts for isotactic polymerization of propylene
Vercauteren, D., HANSENNE, C. & Lvovski, V.
1/06/94 → 31/08/08
Project: PHD
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Comparative structural study of type 1 and 2 isopentenyl diphosphate isomerases (IDI)
Wouters, J. & DE RUYCK, J.
1/09/04 → 31/08/08
Project: PHD
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Development of theoretical methods for the determination and the prediction of the colours of various kinds of dyes
Jacquemin, D., Perpete, E. & Preat, J.
1/10/04 → 30/09/08
Project: PHD
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Developmentof molecular fingerprints based on electron density critical points: application to cytochrome P450 inhibition
Vercauteren, D. & Burton, J.
30/09/04 → 30/09/08
Project: PHD
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ANTISIDA2: Development of new HIV-1 integrase inhibitors
Wouters, J., Cauvin, C., GEORGES, B., HEVESI, L. & Le Van, K.
1/01/06 → 31/12/08
Project: Research
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NMC: Comparative study on interactions between different organic species and the model polymer systems
1/01/02 → 31/12/08
Project: Research
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DEVGEN: Protein purification and quality control protein crystallisation structure determination of protein-ligand complex
20/02/06 → 31/12/08
Project: Research
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Vibrational spectroscopies and theoretical simulations
Champagne, B., BOTEK, E., Liegeois, V. & d'Antuono, P.
1/01/07 → 31/12/08
Project: Research
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Mixed quantum/classical procedures development for determining linear and non-linear optical properties of condensed phases
Champagne, B., BOTEK, E. & Guillaume, M.
1/10/04 → 31/12/08
Project: Research
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AJINOMOTO-PURACOR: Convention pour l'exécution d'analyses par diffraction aux rayons X de poudres
1/05/05 → 31/12/08
Project: Research
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Tournesol-07: Prediction of fluorescent properties of industrial dyes
Jacquemin, D. & Perpete, E.
1/12/06 → 31/12/08
Project: Research
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NUTRIFAT: NUTRIFAT: Elaboration of new food systems emulsions with improved nutritional properties
Wouters, J., KERVYN DE MEERENDRE, M. & VINCENT, M.
1/08/06 → 31/07/09
Project: Research
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Study of theoretical simulation of the NMR spectra on the structural effects in molecules and polymers
Champagne, B., BOTEK, E. & d'Antuono, P.
1/06/04 → 30/09/09
Project: PHD
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Elaboration of electron correlated quantum chemical methods to determine the mixed derivatives with respect to Cartesian coordinates and oscillating electric fields
Champagne, B. & Quinet, O.
1/10/02 → 30/09/09
Project: Research
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Ibuprofen-based microemulsions: potential applications in transdermal delivery
Destree, C. & Wouters, J.
1/10/07 → 30/09/09
Project: PHD
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Development of a better tool for predicting absorption spectra of new pigments from their crystal structure only
Champagne, B., BOTEK, E., Guillaume, M., GUTHMULLER, J. & KANOUN, M. B.
1/08/03 → 1/10/09
Project: Research
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Characterization of the vibrational nonlinear optical properties
ANDRE, J., Champagne, B., Jacquemin, D., Perpete, E., Quinet, O. & Yang, M.
31/12/93 → 30/12/09
Project: Research
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Design of new materials for nonlinear optics
Champagne, B., BOTEK, E., DE WERGIFOSSE, M. & Plaquet, A.
1/01/06 → 31/12/09
Project: Research
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Investigation of the structural, electronic and optical properties of open-shell systems
Champagne, B., BOTEK, E., CAVILLOT, V. & Quinet, O.
1/07/03 → 31/12/09
Project: Research
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Study of (thio)hydantoins as inhibitors of indoleamine 2,3-dioxygenase (IDO)
FAMEREE, M. & Wouters, J.
1/09/06 → 31/08/10
Project: PHD
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Design, synthesis and study of enzyme modulators implicated in tryptophan metabolism and particularly in the kynurenin pathway
FREDERICK, R.
1/10/07 → 30/09/10
Project: Research
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Conception of dual inhibitors Histones deacetylase/DNA (cytosine-5) methyltransferase
BRAUN, J. & Wouters, J.
1/10/06 → 30/09/10
Project: PHD