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Personal profile

Education/Academic qualification

Doctor of Science, University of Namur

Fingerprint Fingerprint is based on mining the text of the person's scientific documents to create an index of weighted terms, which defines the key subjects of each individual researcher.

  • 2 Similar Profiles
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

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Projects 2002 2018

Research Output 2005 2018

  • 570 Citations
  • 14 h-Index
  • 42 Article
  • 3 Conference contribution
  • 1 Chapter (peer-reviewed)

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 journalArticle

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 journalArticle

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, 3, p. 972-984 13 p., DOI: 10.1021/acs.jpca.7b10881.

Research output: Contribution to journalArticle

Open Access
File
Excited states
Molecules
Geometry
Excitation energy
geometry
Optical properties
optical properties
Molecules
molecules
Quantum chemistry

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, Frontiers of Quantum Chemistry. Wojcik, M., Nakatsuji, H., Kirtman, B. & Ozaki, Y. (eds.). Singapore: Springer, p. 117-138 21 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter (peer-reviewed)

Optical properties
Molecules
Quantum chemistry
Electron correlations
Solvation

Prizes

Incentive Award 2012

Vincent Liegeois (Recipient), 11 Oct 2012

Prize: Prize (including medals and awards)

Activities 2003 2018

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 typesParticipation in conference

MAGIC 2018

Vincent Liegeois (Contributor)
24 Sep 2018

Activity: Participating in or organising an event typesParticipation in conference

Sixth International Conference on Vibrational Optical Activity (VOA6)

Vincent Liegeois (Contributor)
13 Sep 2018

Activity: Participating in or organising an event typesParticipation in conference

Chemical Bonding in the 21st Century - A one day Symposium in honor of Professor Roald HOFFMANN

Vincent Liegeois (Participant)
28 May 2018

Activity: Participating in or organising an event typesParticipation in conference

NanoWal Day

Vincent Liegeois (Organiser)
25 May 2018

Activity: Participating in or organising an event typesParticipation in conference

Thesis

A vibrational Raman Optical Activity study of helical oligomers

Author: Liégeois, V., 2006

Supervisor: Champagne, B. (Supervisor)

Student thesis: DEA typesDEA 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 2014

Supervisor: 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 typesDoctor of Sciences

Elaboration d'une méthode de simulation des spectres d'activité optique Raman vibrationnelle

Author: Liégeois, V., 2004

Supervisor: Champagne, B. (Supervisor)

Student thesis: Master typesMaster in Chemistry

Elaboration of quantum chemistry methods for predicting and interpreting vibrational Raman optical activity: applications to helical structures

Author: Liégeois, V., 19 Jun 2008

Supervisor: 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 typesDoctor of Sciences

Quantum chemical investigations of nonlinear optical compounds: from model to complex systems for second harmonic imaging microscopy

Author: de Wergifosse, M., 29 Apr 2014

Supervisor: Champagne, B. (Supervisor), Wouters, J. (President), Liegeois, V. (Jury), Clays, K. (External person) (Jury), Leyssens, T. (External person) (Jury) & BEARPARK, M. J. (External person) (Jury)

Student thesis: Doc typesDoctor of Sciences