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

    A Deep Blue B,N-Doped Heptacene Emitter That Shows Both Thermally Activated Delayed Fluorescence and Delayed Fluorescence by Triplet-Triplet Annihilation

    Suresh, S. M., Duda, E., Hall, D., Yao, Z., Bagnich, S., Slawin, A. M. Z., Bässler, H., Beljonne, D., Buck, M., Olivier, Y., Köhler, A. & Zysman-Colman, E., 8 Apr 2020, In : Journal of the American Chemical Society. 142, 14, p. 6588-6599 12 p.

    Research output: Contribution to journalArticle

  • Computational studies of molecular materials for unconventional energy conversion: The challenge of light emission by thermally activated delayed fluorescence

    Sanz-Rodrigo, J., Olivier, Y. & Sancho-García, J. C., 24 Feb 2020, In : Molecules. 25, 4, 12 p., 1006.

    Research output: Contribution to journalReview article

    Open Access
    File
  • 1 Downloads (Pure)

    Exciton efficiency beyond the spin statistical limit in organic light emitting diodes based on anthracene derivatives

    Sharma, N., Wong, M. Y., Hall, D., Spuling, E., Tenopala-Carmona, F., Privitera, A., Copley, G., Cordes, D. B., Slawin, A. M. Z., Murawski, C., Gather, M. C., Beljonne, D., Olivier, Y., Samuel, I. D. W. & Zysman-Colman, E., 21 Mar 2020, In : Journal of Materials Chemistry C. 8, 11, p. 3773-3783 11 p.

    Research output: Contribution to journalArticle

  • Activities

    Chemistry Africa (Journal)

    Laurence LEHERTE (Peer reviewer)

    5 May 2020

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

    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

    Molecules (Journal)

    Laurence LEHERTE (Peer reviewer)

    19 Feb 2020

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

    Datasets

    CCDC 1897319: Experimental Crystal Structure Determination

    Berthet, J. (Creator), Agouridas, L. (Creator), Chen, S. (Creator), Allouchi, H. (Creator), Melnyk, P. (Creator), CHAMPAGNE, B. (Contributor) & Delbaere, S. (Creator), University of Namur, 1 Dec 2019

    Dataset

    CCDC 1484037: Experimental Crystal Structure Determination

    Van Cleuvenbergen, S. (Contributor), Stassen, I. (Contributor), Gobechiya, E. (Contributor), ZHANG, Y. (Contributor), Markey, K. (Contributor), De Vos, D. E. (Contributor), Kirschhock, C. (Contributor), CHAMPAGNE, B. (Contributor), Verbiest, T. (Contributor) & Van Der Veen, M. A. (Contributor), Cambridge Crystallographic Data Centre, 1 Jan 2016

    Dataset

    CCDC 793359: Experimental Crystal Structure Determination

    Konishi, A. (Contributor), Hirao, Y. (Contributor), Nakano, M. (Contributor), Shimizu, A. (Contributor), BOTEK, E. (Contributor), CHAMPAGNE, B. (Contributor), Shiomi, D. (Contributor), Sato, K. (Contributor), Takui, T. (Contributor), Matsumoto, K. (Contributor), Kurata, H. (Contributor) & Kubo, T. (Contributor), Cambridge Crystallographic Data Centre, 1 Jan 2011

    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

    File