Research Output 1966 2020

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2002

Multiresolution Analysis of Topological Representations of Structural and Physico-Chemical Properties of Pharmacological Molecules

Biname, J., Leherte, L. & Vercauteren, D., 2002, Abstracts of Papers of the American Chemical Society. Vol. 223. p. CINF-005

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Physical methods for evaluating the distribution of deacidificants in restaurated paper materials

ZAPPALA, A., Rudolf, P., MARINO, B., TAMIGNIAU, C., Riga, J., Louette, P., COLUZZA, C., GIGANTE, G. & Demortier, G., 2002, The Science of Art. Pietro, A. (ed.). Padova: Libreria Progetto, p. 388-394 7 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Theoretical Studies of External Donors' Properties Used in Propylene Polymerisation

Hansenne, C., Pattou, D., Standaert, D., Debras, G., Leherte, L. & Vercauteren, D., 2002, Abstracts of Papers of the American Chemical Society . Vol. 223. p. POLY-325

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

2001

Anomalous solubility behaviour of solution saturated with fullerenes: 13C-NMR investigation

Demortier, A., Doome, R., Fonseca, A. & B.Nagy, J., 2001, Magnetic resonance in colloid and interface science: Proceedings of the NATO Advanced research workshop. Jacques, P. & Olga, F. (eds.). Vol. 76. p. 513-518 6 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Comparison of 3-D Physico-Chemical Properties of Ligands for the Thromboxane A2 Receptor Using the Kohonen Self-Organizing Maps Technique

Petit, J., Vercauteren, D., Dogné, J-M. & Durant, F., 2001, Abstracts of Papers of the American Chemical Society. Vol. 221. p. COMP-210

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Theoretical Analysis of Hydrolysis of Sulfur Fluorides SFn (n = 3 - 6) in the Gas Phase

Larin, A., Meurice, N., Leherte, L., Rajzmann, M., Vercauteren, D. & Trubnikov, D., 2001, Gaseous Dielectrics IX. Christophorou, L. G. & Olthoff, J. K. (eds.). p. 425-430 6 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Theoretical approach to the design of organic molecular and polymeric nonlinear optical materials

Champagne, B. & Kirtman, B., 2001, Handbook of advanced electronic and photonic materials and devices. 9: Nonlinear optical materials. Singh, H. (ed.). San Diego (Calif.): Academic press, p. 63-126 64 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Vibrational first and second hyperpolarizability of H-CN

Quinet, O. & Champagne, B., 2001, Nonlinear optics for the information society. Driessen, A. (ed.). p. 133-137 5 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Vibrational first hyperpolarizability of methane and its fluorinated analogs

Quinet, O. & Champagne, B., 2001, New trends in quantum systems in chemistry and physics. 1: Basic problems and model systems. Maruani, J. (ed.). Dordrecht: Kluwer Academic Publishers, p. 375-392 18 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Fluorine
Methane
Harmonic generation
2000

Ab initio summation over states/SCI for static and dynamic hyperpolarizabilities of small molecules

Champagne, B., Spassova, M., Monev, V., Mosley, D., André, J-M. & Kanev, I., 2000, Quantum systems in chemistry and physics. A: Basic problems and model systems. Alfonso, H. L. (ed.). London: Kluwer academic, p. 101-125 25 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Change in benzene adsorption properties of KL zeolite upon coadsorption of ammonia and methylamine

Norberg, V., Hansenne, C. & Su, B-L., 2000, Proceedings of the Second Pacific Basin Conference on Adsorption Science and Technology. Duong D. Do, p. 583-587 5 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Comparison of Several Ligands for the 5-HT1D Receptor Using the Kohonen Self-Organizing Maps Technique

Petit, J. & Vercauteren, D., 2000, Molecular Modeling and Prediction of Bioactivity. Eds., C. & Gundertofte, F. S. (eds.). New York: Kluwer, p. 478-479 2 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Control of the outer diameter of thin carbon nanotubes synthetized by catalytic decomposition of hydrocarbons

Willems, I., Konya, Z., Colomer, J-F., Van Tendeloo, G., Nagaraju, N., Fonseca, A. & B.Nagy, J., 2000, Electronic properties of novel materials - progress in molecular nanostructures. p. 242-245 4 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Determination of Screening Descriptors for Chemical Reaction Databases

Dury, L., Leherte, L. & Vercauteren, D., 2000, Principles of Data Mining and Knowledge Discovery: 4th European Conference, PKDD 2000. Zighed, D. A., Komorowski, J. & Zytkow, J. (eds.). Vol. 1910. p. 388-394 7 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Spectroscopic study on the adsorption of ammonia in a series of alkali-exchanged faujasite zeolites

Gilles, F., Docquir, F. & Su, B-L., 2000, Proceedings of the Second Pacific Basin Conference on Adsorption Science and Technology. Duong D. Do, p. 578-582 5 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Study of the Molecular Similarity among Three HIV Reverse Transcriptase Inhibitors in order to Validate GAGS, A Genetic Algorithm for Graph Similarity Search

Meurice, N., Maggiora, G. & Vercauteren, D., 2000, Molecular Modeling and Prediction of Bioactivity. Eds., C. & Gundertofte, F. S. (eds.). New York: Kluwer, p. 427-428 2 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

1999

Adsorption of cyanine dyes on silver halides nanoparticules

Jeunieau, L. & B.Nagy, J., 1999, Conference proceeding book of ICP 98, International congress on imaging science. Vol. 1. p. 506-510 5 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Avant-propos

Mies, F. & André, J-M., 1999, Toute la sagesse du monde: Hommage à Maurice Gilbert, s.j.. MIES, F. (ed.). Namur, Bruxelles: Editions Lessius - Presses universitaires de Namur , p. 7-19 13 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

C60, C60O, C70 and C70O fullerene formation in premixed benzene-oxygen flames

Hammida, M., B.Nagy, J., Fonseca, A., Doome, R., De Hoffmann, E. & Thiry, P., 1999, Proceedings of the 27th international symposium on combustion. combustion, T. (ed.).

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Catalytic synthesis of carbon nanotubes

Hernadi, K., Fonseca, A., B.Nagy, J. & Bernaerts, D., 1999, Supercarbon: synthesis, Properties and Applications. Tokyo (Japon): Yoshimura S., Chang R. P. H., Vol. 33. p. 81-97 17 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Effect of hydrogenation on catalytically produced carbon nanotubes

Piedigrosso, P., Colomer, J-F., Fonseca, A. & B.Nagy, J., 1999, Electronic properties of novel materials - progress in molecular nanostructures. New York: Kuzmany H., Fink J., Mehring M., Roth S., p. 16-19 4 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Influence of alkali cations on the incorporation of aluminium, boron and gallium into the MFI framework in luforide conatining media.

B.Nagy, J., Testa, F., Crea, F. & Aiello, R., 1999, Proc. of the 12th International Zeolite Conference. Warendale: M.M.J. Treacy et al., Vol. III. p. 1619-1626 8 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Interaction of chloroflurorocarbons with zeolites studied by in-situ IR and multinuclear NMR spectroscopy.

Lentz, P., B.Nagy, J., Kiricsi, I., Konya, Z. & Hannus, I., 1999, Proc. of the 12th International Zeolite Conference. Treacy, M. M. J. (ed.). Warrendals: M.M.J. Treacy et al., Vol. III. p. 2963-2970 8 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Molecular Modeling of Triglycerides Polymorphism: Part I: Calculation of Charge Distributions, Conformational Analyses, and Correlation with NMR and X-Ray Data

Culot, C., Vercauteren, D., Durant, F. & Brasseur, R., 1999, Recent Research Developments in Oil Chemistry. Palai, S. G. (ed.). Vol. 3. p. 107-129 23 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Nanoclusters in zeolites

B.Nagy, J., Hannus, I. & Kiricsi, I., 1999, Nanoparticles and nanostructural film preparation, characterization and application. Fendler, J. H. (ed.). Weinheim: Wiley-VCH, p. 398-427 30 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

New metallic alloys incorporating fullerenes and nanotubes

Doome, R., Fonseca, A., Thiry, P. & B.Nagy, J., 1999, Electronic properties of novel materials - progress in molecular nanostructures. New York: Kuzmany H., Fink J., Mehring M., Roth S., Vol. 442. p. 515-518 4 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Nonlinear optical hyperpolarizabilities and electronic properties of oligomers and polymers: the polyene story, from dyes to conducting and NLO systems

André, J-M. & Champagne, B., 1999, Conjugated oligomers, polymers, and dendrimers: from polyacetylene to DNA: proceedings of the fourth Francqui colloquium, 21-23 October 1998, Brussels. Jean-Luc, B. (ed.). Bruxelles: De Boeck Université, p. 349-394 46 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Preparation of carbon nanotubes on the surface of magadiite impregnated with cobalt (II) and Iron ions.

Fonseca, A., Mukhopadhayay, K., B.Nagy, J., Fudala, A., Hernadi, K. & Kiricsi, I., 1999, Proc. of the 12th International Zeolite Conference. Treacy, M. M. J. (ed.). Vol. II. p. 917-921 5 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Preparation of carbon nanotubes on the surface of magadiite impregnated with cobalt (II) or iron (III) ions.

Fonseca, A., Mukhopadhy, K., B.Nagy, J., Fudala, A., Hernadi, K. & Kiricsi, I., 1999, Proc. 12th Int. Zeol. Conf.,. Warrendale, Pennsylvania,: M.M.J. Treacy, B. K. Marcus, M.E. Bisher and J.B. Higgins, p. 917-921 5 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Preparation of ultrafine particles of metals and metal borides in microemulsions

B.Nagy, J., 1999, Handbook of "Microemulsion Science and Technology": Preparation of ultrafine particles of metals and metal borides in microemulsions. Kumar, P. & Mittal, K. (eds.). p. 499-547 49 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Recent progress in the production of multi-wall carbon nanotubes using various supported cobalt catalysts.

Piedigrosso, P., Konya, Z., Colomer, J-F., Fonseca, A., Hernadi, K., Van Tendeloo, G. & B.Nagy, J., 1999, Electrochemical Society Proceedings. Vol. 99-12. p. 566-579 14 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Synthesis, purification and characterisation of multi- and single-wall nanotubes produced by catalytic decomposition of hydrocarbons.

Colomer, J-F., Piedigrosso, P., Willems, I., Fonseca, A., Konya, Z. & B.Nagy, J., 1999, Electronic properties of novel materials- progress in molecular nanostructures. American Institute of Physics, Woodbury, New York: H. Kuzmany, J. Fink, M. Mehring and S. Roth, p. 241-244 4 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

The role of catalyst support in carbon nanotube synthesis

Siska, A., Hernadi, K., Kiricsi, I., Rojik, I. & B.Nagy, J., 1999, Electronic properties of novel materials - Progress in molecular nanostructures. Institute, A. & Physics, O. (eds.). Woodbury (USA): Kuzmany H., Fink J., Mehring M., Roth S., Vol. 442. p. 20-23 4 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Transformation of layer silicates into three dimensional structures by pillaring of aluminium containing magadiite with inorganic polymer ions.

B.Nagy, J., Kiricsi, I., Mizukami, F., Niwa, S-I., Fudala, A., Toba, M. & Kiyozumi, Y., 1999, Proc. of the 12th Interantional Zeolite Conference. Treacy, M. M. J. (ed.). Vol. III. p. 1685-1692 8 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

1998

Chemical modifications induced in polyacrylonitrile films by proton beams

Pirlot, C., Bertholet, J-C., Delhalle, J., Riga, J., Demortier, G., Deniau, G. & Lécayon, G., 1998, Protective coatings and thin films: synthesis, characterization and applications. Pauleau, Y. & Peter, B. (eds.). Amsterdam: Kluwer Academic Publishers, Vol. 21. p. 255-263 9 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Concentration Dependence of Butene Diffusion in Silicalite-2

Jousse, F., Auerbach, S. & Vercauteren, D., 1998, Abstracts of Papers of the American Chemical Society . Vol. 215. p. COMP-210

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Effect of microwave treatment on low silica zeolites

Hasznos-Nezdei, M., B.Nagy, J., Pallai, E., Szentmarjai, T., Szabo, S. & Vass, A., 1998, The Proceedings of the First European Congress on Chemical Engeneering. p. 1555-1558 4 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Influence of the potential application mode on the electrochemical polymerization of n-vinyl-2-pyrrolidone

Doneux, C., Riga, J., Delhalle, J., Charlier, J., Bureau, C., Tanguy, J. & Lécayon, G., 1998, Polymer-solid interfaces: from model to real systems: proceedings of the 2nd international conference, Namur, 12-16 August 1996. Pireaux, J. J., Delhalle, J. & Rudolf, P. (eds.). Namur: Presses universitaires de Namur, p. 91-104 14 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Investigation of the growth mechanism of carbon nanotubes produced by the catalytic method

Piedigrosso, P., Bosquillon, A., Fonseca, A. & B.Nagy, J., 1998, Molecular Nanostuctures. Scientific, W. (ed.). Kirchberg, Austria: Kuzmany H, Mehring M, Fink J, Roth S, p. 391-394 4 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Purification of multi-wall carbon nanotubes produced over supported catalysts

Colomer, J-F., Piedigrosso, P., Mukhopadhyay, K., Konya, Z., Willems, I., Fonseca, A. & B.Nagy, J., 1998, Electrochemical Society Proceedings. Pennington (New Jersey): Kadish K. M., Ruoff R. S., Vol. 98-8. p. 830-842 13 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Scanning tunneling microscopy of carbon nanotubes: Beyond the image

Biró, L. P., B.Nagy, J., Lambin, P., Lazarescu, S., Fonseca, A., Thiry, P. & Lucas, A., 1998, Electronic properties of novel materials - progress in molecular nanostructures (World Scientific, Singapour, 1998). Kuzmany, H., Fink, J., Mehring, M. & Roth, S. (eds.). New York: Kuzmany H., Fink J., Mehring M., Roth S., p. 420-425 6 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Scanning tunneling microscopy of carbon nanotubes. Beyond the image.

Biro, L. P., B.Nagy, J., Lambin, P., Lazarescu, S. D., Fonseca, A., Thiry, P. A. & Lucas, A., 1998, Molecular Nanostructures. Kuzmany, H., Fink, J., Mehring, M. & Roth, S. (eds.). World Scientific Publishing Co, p. 419-422 4 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Signature of the surface molecular structure of alkanethiols chains in their valence and vibrational spectra

Duwez, A-S., Yu, L. M. L., Ghijsen, J., Riga, J., Pireaux, J-J. & Delhalle, J., 1998, Polymer-solid interfaces: from model to real systems: proceedings of the 2nd international conference, Namur, 12-16 August 1996. Pireaux, J. J., Delhalle, J. & Rudolf, P. (eds.). Namur: Presses universitaires de Namur, p. 105-118 14 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Silicon suboxide onto polypropylene: plasma pretreatment effects on acid-base properties

Bodino, F., Compiègne, N., Köhler, L., Pireaux, J-J. & Caudano, R., 1998, Polymer-solid interfaces: from model to real systems: proceedings of the 2nd international conference, Namur, 12-16 August 1996. Pireaux, J. J., Delhalle, J. & Rudolf, P. (eds.). Namur: Presses universitaires de Namur, p. 17-29 13 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Synthesis of heavy fullerenes in premixed benzene-oxygen flames

Hammida, M., Richter, H., Doome, R., Fonseca, A. & B.Nagy, J., 1998, Proceeding of the Combustion Institute.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Synthesis of Mordenite and ZSM-11 zeolites from very dense systems: formation of self-bonded pellets

De Luca, P., Crea, F., Aiello, R., Fonseca, A. & B.Nagy, J., 1998, Progress in Zeolite and Microporous Materials, Studies in Surface Science and Catalysis. Elsevier, Vol. 105. p. 325-332 8 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Zeolites
Ammonium Compounds
Cations
Gels
Chemical analysis

Tailoring of the SiOx-polypropylene interface through plasma pretreatments: a test case for the acid-base concept

Bodino, F., Compiègne, N., Köhler, L., Pireaux, J-J. & Caudano, R., 1998, Proceedings of the 20th annual "anniversary" meeting of the Adhesion Society. Drzal, L. T. & Schreiber, H. P. (eds.). The Adhesion Society, p. 41-44 4 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

X-Ray Photoelectron Spectroscopy (XPS)

Pireaux, J-J. & Riga, J., 1998, Metals as Biomateriels: a handbook. Helsen, J. A. & Breme, J. (eds.). p. 337-357 21 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

1997

Adhesion properties and surface analyses of monolayers of n-dodecanethiol self-assembled on galvanic gold.

Noel, S., Houzé, F., Boyer, L., Delhalle, J. & Mekhalif, Z., 1997, Proceeding of the fifth International Conference on Adhesion and Surface Analysis, 31 March-2 April, Loughborough, (UK).

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Development of a Genetic Algorithm Method Especially Designed for the Comparison of Molecular Models: Application to the Elucidation of the Benzodiazepine Receptor Pharmacophore

Meurice, N., Leherte, L., Vercauteren, D., Bourguignon, J-J. & Wermuth, C-G., 1997, Computer-Assisted Lead Finding and Optimization. Eds., H., de, V., Waterbeemd, B. & Testa, G. (eds.). Bâle: Verlag Helvetica Chimica Acta, p. 497-509 13 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter