Projects per year
Personal profile
Education/Academic qualification
Doctor of Science, University of Namur
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Molecules
Chemical Compounds
optical activity
Physics & Astronomy
Derivatives
Chemical Compounds
signatures
Physics & Astronomy
Quantum chemistry
Chemical Compounds
Excited states
Chemical Compounds
Density functional theory
Chemical Compounds
Conformations
Chemical Compounds
Network
Recent external collaboration on country level. Dive into details by clicking on the dots.
Projects 2002 2018
- 10 Finished
Condensed Phase Polarizability: Condensed phase effects on the polarizabilities of organic molecules and ions
Champagne, B., Liégeois, V., Krawczuk, A. & Gryl, M.
1/06/18 → 31/12/18
Project: Research
Cristaux liquides pour l'optique non-linéaire : conception, synthèse et caractérisation
Champagne, B., Soldera, A., Seidler, T., Tetsassi Feugmo, C. G. & Liégeois, V.
1/09/15 → 31/10/17
Project: Research
Quantum chemical design of open-shell nonlinear optical materials
Nakano, M., Champagne, B., Plaquet, A., Liégeois, V., De Wergifosse, M. & Seidler, T.
1/01/14 → 31/12/15
Project: Research
Research Output 2005 2019
Probing alkylsilane molecular structure on amorphous silica surfaces by sum frequency generation vibrational spectroscopy: First-principles calculations
Tetsassi Feugmo, C. G., Liégeois, V., Caudano, Y., Cecchet, F. & Champagne, B., 21 Feb 2019, In : The journal of chemical physics. 150, 7, p. 074703 074703.Research output: Contribution to journal › Article
Evaluation of Aromaticity for Open-Shell Singlet Dicyclopenta-Fused Acenes and Polyacenes Based on a Magnetically Induced Current
Nagami, T., Fujiyoshi, J. Y., Tonami, T., Watanabe, K. I., Yamane, M., Okada, K., Kishi, R., Nakano, M., Champagne, B. & Liégeois, V., 12 Sep 2018, In : Chemistry - A European Journal. 24, 51, p. 13457-13466 10 p.Research output: Contribution to journal › Article
Aromatic polymers
Induced currents
Spatial distribution
Electronic density of states
Benzene
Intramolecular [3 + 2] Cycloaddition Reactions of Unsaturated Nitrile Oxides. A Study from the Perspective of Bond Evolution Theory (BET)
Adjieufack, A. I., Liégeois, V., Mbouombouo Ndassa, I., Ketcha Mbadcam, J. & Champagne, B., 20 Sep 2018, In : Journal of physical chemistry A. 122, 37, p. 7472-7481 10 p.Research output: Contribution to journal › Article
Nitriles
Cycloaddition
nitriles
cycloaddition
Discrete Fourier transforms
Investigation of the Electronic Excited-State Equilibrium Geometries of Three Molecules Undergoing ESIPT: A RI-CC2 and TDDFT Study
Louant, O., Champagne, B. & Liégeois, V., 1 Feb 2018, In : Journal of physical chemistry A. 122, 4, p. 972-984 13 p., DOI: 10.1021/acs.jpca.7b10881.Research output: Contribution to journal › Article
Open Access
File
Excited states
Molecules
Geometry
Excitation energy
geometry
Quantum Chemical Methods for Predicting and Interpreting Second-Order Nonlinear Optical Properties: from Small to Extended π-Conjugated Molecules
Champagne, B., Beaujean, P., De Wergifosse, M., Hidalgo Cardenuto, M., Liégeois, V. & Castet, F., 2018, In : Frontiers in Quantum Chemistry. p. 117-138 21 p.Research output: Contribution to journal › Article
Optical properties
optical properties
Molecules
molecules
Quantum chemistry
Prizes
Incentive Award 2012
Vincent Liégeois (Recipient), 11 Oct 2012
Prize: Prize (including medals and awards)
Activities 2003 2018
Visit within the bilateral collaboration with Prof. Anna Krawczuk and Dr. Marlena Gryl.
Vincent Liegeois (Contributor)21 Nov 2018
Activity: Participating in or organising an event types › Participation in workshop, seminar, course
Quantum Chemistry and Computational Modelling section of the 2018 Norwegian National Meeting in Chemistry
Vincent Liegeois (Invited Speaker)17 Oct 2018
Activity: Participating in or organising an event types › Participation in conference
MAGIC 2018
Vincent Liegeois (Contributor)24 Sep 2018
Activity: Participating in or organising an event types › Participation in conference
Sixth International Conference on Vibrational Optical Activity (VOA6)
Vincent Liegeois (Contributor)13 Sep 2018
Activity: Participating in or organising an event types › Participation in conference
NanoWal Day
Vincent Liegeois (Organiser)25 May 2018
Activity: Participating in or organising an event types › Participation in conference
Thesis
A vibrational Raman Optical Activity study of helical oligomers
Author: Liégeois, V., 2006Supervisor: Champagne, B. (Supervisor)
Student thesis: DEA types › DEA in Chemistry
Density functional theory simulation and interpretation of inelastic electron tunneling spectra of molecular junctions: from model to complex systems
Author: Segerie, A., Oct 2014Supervisor: Champagne, B. (Supervisor), Bonifazi, D. (Jury), Liegeois, V. (Jury), Cecchet, F. (Jury), Castet, F. (External person) (Jury) & Nysten, B. (External person) (Jury)
Student thesis: Doc types › Doctor of Sciences
Elaboration d'une méthode de simulation des spectres d'activité optique Raman vibrationnelle
Author: Liégeois, V., 2004Supervisor: Champagne, B. (Supervisor)
Student thesis: Master types › Master in Chemistry
Elaboration of quantum chemistry approaches for the simulation and the interpretation of vibrational Sum Frequency Generation signatures of functionalized surfaces
Author: Tetsassi Feugmo, C. G., 29 Nov 2018Supervisor: Caudano, Y. (Co-Supervisor), Champagne, B. (Co-Supervisor), Liégeois, V. (President), Vercauteren, D. (Jury), Cecchet, F. (Jury), Guthmuller, J. (External person) (Jury) & Busson, B. (External person) (Jury)
Student thesis: Doc types › Doctor of Sciences
Elaboration of quantum chemistry methods for predicting and interpreting vibrational Raman optical activity: applications to helical structures
Author: Liégeois, V., 19 Jun 2008Supervisor: Thiry, P. (Jury), Verbiest, T. (External person) (Jury), Hug, W. (External person) (Jury), Ruud, K. (External person) (Jury), Su, B. L. (Jury) & Champagne, B. (Supervisor)
Student thesis: Doc types › Doctor of Sciences