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Vincent LIEGEOIS
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Year
Basis set and density functional dependence of vibrational Raman optical activity calculations
M Reiher, V Liégeois, K Ruud
The Journal of Physical Chemistry A 109 (33), 7567-7574, 2005
1102005
An analytical derivative procedure for the calculation of vibrational Raman optical activity spectra
V Liégeois, K Ruud, B Champagne
The Journal of chemical physics 127 (20), 2007
922007
Evaluation of the molecular static and dynamic first hyperpolarizabilities
M de Wergifosse, V Liégeois, B Champagne
International Journal of Quantum Chemistry 114 (14), 900-910, 2014
562014
Calculations of current densities for neutral and doubly charged persubstituted benzenes using effective core potentials
M Rauhalahti, S Taubert, D Sundholm, V Liégeois
Physical Chemistry Chemical Physics 19 (10), 7124-7131, 2017
532017
On the aromatic character of 1, 2-dihydro-1, 2-azaborine according to magnetic criteria
R Carion, V Liégeois, B Champagne, D Bonifazi, S Pelloni, P Lazzeretti
The Journal of Physical Chemistry Letters 1 (10), 1563-1568, 2010
522010
TDHF Evaluation of the Dipole− Quadrupole Polarizability and Its Geometrical Derivatives
O Quinet, V Liégeois, B Champagne
Journal of Chemical Theory and Computation 1 (3), 444-452, 2005
522005
Time-dependent density functional theory investigation of the absorption and emission spectra of a cyanine dye
M Guillaume, V Liégeois, B Champagne, F Zutterman
Chemical Physics Letters 446 (1-3), 165-169, 2007
502007
Nonlinear optical switching behavior in the solid state: A theoretical investigation on anils
A Ségerie, F Castet, MB Kanoun, A Plaquet, V Liégeois, B Champagne
Chemistry of Materials 23 (17), 3993-4001, 2011
492011
Theoretical determination of the vibrational Raman optical activity signatures of helical polypropylene chains
E Lamparska, V Liégeois, O Quinet, B Champagne
ChemPhysChem 7 (11), 2366-2376, 2006
452006
Analyzing the vibrational signatures of thiophenol adsorbed on small gold clusters by DFT calculations
CG Tetsassi Feugmo, V Liégeois
ChemPhysChem 14 (8), 1633-1645, 2013
412013
Vibrational Raman optical activity of π‐conjugated helical systems: Hexahelicene and heterohelicenes
V Liégeois, B Champagne
Journal of computational chemistry 30 (8), 1261-1278, 2009
392009
Enhanced open-circuit voltage in polymer solar cells by dithieno [3, 2-b: 2′, 3′-d] pyrrole N-acylation
W Vanormelingen, J Kesters, P Verstappen, J Drijkoningen, J Kudrjasova, ...
Journal of Materials Chemistry A 2 (20), 7535-7545, 2014
382014
Vibrational Raman optical activity as a mean for revealing the helicity of oligosilanes: A quantum chemical investigation
V Liégeois, O Quinet, B Champagne
The Journal of chemical physics 122 (21), 2005
312005
Simulation of the uv/visible absorption spectra of fluorescent protein chromophore models
F Zutterman, V Liégeois, B Champagne
ChemPhotoChem 1 (6), 281-296, 2017
242017
Intramolecular [3+ 2] Cycloaddition Reactions of Unsaturated Nitrile Oxides. A Study from the Perspective of Bond Evolution Theory (BET)
AI Adjieufack, V Liegeois, I Ndassa Mboumbouo, J Ketcha Mbadcam, ...
The Journal of Physical Chemistry A 122 (37), 7472-7481, 2018
222018
Resonant Raman spectra of molecules with diradical character: multiconfigurational wavefunction investigation of neutral viologens
J Romanova, V Liégeois, B Champagne
Physical Chemistry Chemical Physics 16 (39), 21721-21731, 2014
222014
Implementation in the Pyvib2 program of the localized mode method and application to a helicene
V Liégeois, B Champagne
Theoretical Chemistry in Belgium: A Topical Collection from Theoretical …, 2012
222012
Analysis of Vibrational Raman Optical Activity Signatures of the (TG)N and (GG)N Conformations of Isotactic Polypropylene Chains in Terms of Localized Modes
V Liégeois, CR Jacob, B Champagne, M Reiher
The Journal of Physical Chemistry A 114 (26), 7198-7212, 2010
222010
Investigation of polyethylene helical conformations: theoretical study by vibrational Raman optical activity
V Liégeois, O Quinet, B Champagne
International journal of quantum chemistry 106 (15), 3097-3107, 2006
222006
Investigation of the Electronic Excited-State Equilibrium Geometries of Three Molecules Undergoing ESIPT: A RI-CC2 and TDDFT Study
O Louant, B Champagne, V Liégeois
The Journal of Physical Chemistry A 122 (4), 972-984, 2018
212018
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Articles 1–20