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.

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    Projects

    Research Output

    Free-standing flexible and biomimetic hybrid membranes for ions and ATP transport

    molina, B. G., LOPES RODRIGUES, M., Estrany, F., Michaux, C., Perpete, E., Armelin, E. & Aleman, C., 1 Mar 2020, In : Journal of Membrane Science . 601, 117931.

    Research output: Contribution to journalArticle

  • Selective recognition of small hydrogen bond acceptors by a calix[6]arene-based molecular container

    Lavendomme, R., Desroches, F., Moerkerke, S., Topić, F., Wouters, J., Rissanen, K., Luhmer, M. & Jabin, I., 2020, In : Supramolecular Chemistry. 32

    Research output: Contribution to journalArticle

  • Activities

    Interpretation of Sum Frequency Generation Spectra of functionalized surfaces by first principles methods

    Benoit CHAMPAGNE (Speaker)
    15 Mar 202018 Mar 2020

    Activity: Talk or presentation typesInvited talk

    Molecular Simulation (Journal)

    Laurence LEHERTE (Peer reviewer)
    10 Feb 2020

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

    Molecules (Journal)

    Laurence LEHERTE (Peer reviewer)
    19 Feb 2020

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

    Datasets

    CCDC 171076: Experimental Crystal Structure Determination

    Le Bourdonnec, B. (Creator), Meulon, E. (Creator), Yous, S. (Creator), Goossens, J. (Creator), Houssin, R. (Creator), Henichart, J. (Creator), University of Namur, 1 Jan 2003

    Dataset

    CCDC 102126: Experimental Crystal Structure Determination

    Lebon, F. (Creator), Benatallah, Z. (Creator), Sicsic, S. (Creator), Lapouyade, R. (Creator), Kahn, O. (Creator), Reboud-Ravaux, M. (Creator), University of Namur, 1 Jan 1999

    Dataset

    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

    Approche structurale et fonctionnelle de la première enzyme de la voie de la sérine: PHGDH, une cible potentielle pour le traitement du cancer

    Author: Themans, Q., 18 Oct 2019

    Supervisor: Wouters, J. (Supervisor), Leherte, L. (President), Unterlass, J. (External person) (Jury), Sirigu, S. (External person) (Jury) & Röhrig, U. (External person) (Jury)

    Student thesis: Doc typesDoctor of Sciences