| 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 | 112 | 2005 |
| 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 | 92 | 2007 |
| 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 | 60 | 2017 |
| 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 | 58 | 2014 |
| On the aromatic character of 1, 2-dihydro-1, 2-azaborine according to magnetic criteria R Carion, V Liegeois, B Champagne, D Bonifazi, S Pelloni, P Lazzeretti The Journal of Physical Chemistry Letters 1 (10), 1563-1568, 2010 | 54 | 2010 |
| 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 | 51 | 2005 |
| 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 | 49 | 2011 |
| 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 | 49 | 2007 |
| 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 | 49 | 2006 |
| 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 | 43 | 2013 |
| 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 | 40 | 2009 |
| 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 | 39 | 2014 |
| 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 | 32 | 2005 |
| 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 | 28 | 2018 |
| Simulation of the uv/visible absorption spectra of fluorescent protein chromophore models F Zutterman, V Liégeois, B Champagne ChemPhotoChem 1 (6), 281-296, 2017 | 27 | 2017 |
| Quantum chemical methods for predicting and interpreting second-order nonlinear optical properties: From small to extended π-conjugated molecules B Champagne, P Beaujean, M De Wergifosse, MH Cardenuto, V Liégeois, ... Frontiers of Quantum Chemistry, 117-138, 2018 | 26 | 2018 |
| Spiro-based thermally activated delayed fluorescence emitters with reduced nonradiative decay for high-quantum-efficiency, low-roll-off, organic light-emitting diodes N Sharma, M Maciejczyk, D Hall, W Li, V Liégeois, D Beljonne, Y Olivier, ... ACS Applied Materials & Interfaces 13 (37), 44628-44640, 2021 | 25 | 2021 |
| 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 | 23 | 2014 |
| 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 | 23 | 2012 |
| 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 | 23 | 2010 |
