Functional Supramolecular Systems (FS2)

Champagne, Benoit (CoI)
De Vos, Dirk (PI)
Van der Auweraer, Mark (CoI)
Jérôme, Christine (CoI)
Lazzaroni, Roberto (CoI)
Marin, Guy (CoI)
Jonas, Alain (CoI)
Du Prez, Filip (CoI)
Vanderzande, Dirk (CoI)
Van Tendeloo, Gustaaf (CoI)
Van Speybroeck, Veronique (CoI)
NENON, Sebastien (Researcher)
STAELENS, Nicolas (Researcher)

Unit of theoretical and structural physico-chemistry

Project: Research

Acronym	PAI n°P7/05 - FS2
Status	Finished
Effective start/end date	1/04/12 → 30/09/17

72 Article
3 Poster
1 Chapter (peer-reviewed)

Coupled-cluster sum-frequency generation nonlinear susceptibilities of methyl (CH3) and methylene (CH2) groups
Tetsassi Feugmo, C. G., Liégeois, V. & Champagne, B., 9 Nov 2017, In: PCCP : Physical Chemistry Chemical Physics. 19, 44, p. 29822 - 29832 11 p.
Research output: Contribution to journal › Article › peer-review
Electronic Band Structure of Helical Polyisocyanides
Fripiat, J. G., Champagne, B., Liégeois, V. & Harris, F. E., 19 Oct 2017, In: The Journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory. 121, 41, p. 7993-8002 10 p., DOI: 10.1021/acs.jpca.7b07403.
Research output: Contribution to journal › Article › peer-review
Emergence of nonlinear optical activity by incorporation of a linker carrying the p-nitroaniline motif in MIL-53 frameworks
Markey, K., Krüger, M., Seidler, T., Reinsch, H., Verbiest, T., De Vos, D., Champagne, B., Stock, N. & Van Der Veen, M. A., 16 Nov 2017, In: Journal of Physical Chemistry C: Nanomaterials and interfaces. 121, 45, p. 25509-25519 11 p.
Research output: Contribution to journal › Article › peer-review

Open Access

2 Finished

Elaboration de méthodes de chimie quantique pour prédire et interpreter les spectres vibrationnels de molécules à l’état excité
LOUANT, O. (PI), CHAMPAGNE, B. (Supervisor) & Liégeois, V. (Supervisor)
1/10/14 → 30/09/18
Project: PHD
Quantum chemical design of open-shell nonlinear optical materials
CHAMPAGNE, B. (PI), SEIDLER, T. (PI), DE WERGIFOSSE, M. (PI) & Nakano, M. (PI)
1/04/14 → 31/12/21
Project: Research

8 Participation in conference
3 Visiting an external academic institution
1 Participation in workshop, seminar, course
1 Invited talk

Laboratoire CEISAM-UMR CNRS 6230, Université de Nantes
Vercauteren, D. P. (Visiting researcher)
1 Feb 2017 → 30 Jul 2017
Activity: Visiting an external institution types › Visiting an external academic institution
On the Intrinsic Flexibility of the μ Opioid Receptor through Multiscale Modeling Approaches
Vercauteren, D. P. (Invited speaker)
2017 → …
Activity: Talk or presentation types › Invited talk
Laboratoire CEISAM-UMR CNRS 6230, Université de Nantes
Vercauteren, D. P. (Visiting researcher)
May 2016
Activity: Visiting an external institution types › Visiting an external academic institution

High Performance Computing Technology Platform
Champagne, B. (Manager)
Technological Platform High Performance Computing
Facility/equipment: Technological Platform

Étude de la formation et des propriétés dynamiques, conformationelles et énergétiques d'assemblages supramoléculaires à base de nanotubes organiques et d'agrégats d'argent dans des brins d'ADN
Staelens, N. (Author)Vercauteren, D. (Supervisor), Leherte, L. (President), Champagne, B. (Jury), Bonifazi, D. (Jury) & Laaksonen, A. (Jury), 26 May 2014
Student thesis: Doc types › Doctor of Sciences

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