| A theoretical investigation of the ground and excited states of selected Ru and Os polypyridyl molecular dyes JF Guillemoles, V Barone, L Joubert, C Adamo The Journal of Physical Chemistry A 106 (46), 11354-11360, 2002 | 213 | 2002 |
| Convergence of the electrostatic interaction based on topological atoms PLA Popelier, L Joubert, DS Kosov The Journal of Physical Chemistry A 105 (35), 8254-8261, 2001 | 163 | 2001 |
| On the physical nature of halogen bonds: A QTAIM study OA Syzgantseva, V Tognetti, L Joubert The Journal of Physical Chemistry A 117 (36), 8969-8980, 2013 | 146 | 2013 |
| Nine questions on energy decomposition analysis J Andrés, PW Ayers, RA Boto, R Carbó‐Dorca, H Chermette, J Cioslowski, ... Journal of Computational Chemistry 40 (26), 2248-2283, 2019 | 134 | 2019 |
| Density functional theory and Bader's atoms-in-molecules theory: towards a vivid dialogue V Tognetti, L Joubert Physical Chemistry Chemical Physics 16 (28), 14539-14550, 2014 | 114 | 2014 |
| On the physical role of exchange in the formation of an intramolecular bond path between two electronegative atoms V Tognetti, L Joubert The Journal of Chemical Physics 138 (2), 2013 | 105 | 2013 |
| Enantiomeric differentiation of aromatic amino acids using traveling wave ion mobility-mass spectrometry V Domalain, M Hubert-Roux, V Tognetti, L Joubert, CM Lange, J Rouden, ... Chemical Science 5 (8), 3234-3239, 2014 | 98 | 2014 |
| A comprehensive theoretical view of the bonding in actinide molecular complexes L Petit, L Joubert, P Maldivi, C Adamo Journal of the American Chemical Society 128 (7), 2190-2191, 2006 | 89 | 2006 |
| A proposal for an extended dual descriptor: a possible solution when frontier molecular orbital theory fails V Tognetti, C Morell, PW Ayers, L Joubert, H Chermette Physical Chemistry Chemical Physics 15 (34), 14465-14475, 2013 | 86 | 2013 |
| Condensed descriptors for reactivity: a methodological study F Zielinski, V Tognetti, L Joubert Chemical Physics Letters 527, 67-72, 2012 | 84 | 2012 |
| The prediction of energies and geometries of hydrogen bonded DNA base-pairs via a topological electrostatic potential L Joubert, PLA Popelier Physical Chemistry Chemical Physics 4 (18), 4353-4359, 2002 | 71 | 2002 |
| The elusive atomic rationale for DNA base pair stability PLA Popelier, L Joubert Journal of the American Chemical Society 124 (29), 8725-8729, 2002 | 67 | 2002 |
| A Theoretical Study of the Decomposition Mechanisms in Substituted o-Nitrotoluenes G Fayet, L Joubert, P Rotureau, C Adamo The Journal of Physical Chemistry A 113 (48), 13621-13627, 2009 | 63 | 2009 |
| Role of cationization and multimers formation for diastereomers differentiation by ion mobility-mass spectrometry V Domalain, V Tognetti, M Hubert-Roux, CM Lange, L Joubert, J Baudoux, ... Journal of The American Society for Mass Spectrometry 24 (9), 1437-1445, 2013 | 62 | 2013 |
| Theoretical study of the decomposition reactions in substituted nitrobenzenes G Fayet, L Joubert, P Rotureau, C Adamo The Journal of Physical Chemistry A 112 (17), 4054-4059, 2008 | 61 | 2008 |
| On the influence of density functional approximations on some local Bader’s atoms-in-molecules properties V Tognetti, L Joubert The Journal of Physical Chemistry A 115 (21), 5505-5515, 2011 | 60 | 2011 |
| Improved convergence of the ‘atoms in molecules’ multipole expansion of electrostatic interaction L Joubert, PLA Popelier Molecular Physics 100 (21), 3357-3365, 2002 | 54 | 2002 |
| Structural and thermochemical ab initio studies of lanthanide trihalide molecules with pseudopotentials L Joubert, G Picard, JJ Legendre Inorganic Chemistry 37 (8), 1984-1991, 1998 | 54 | 1998 |
| Halogen–halogen interactions in perhalogenated ethanes: An interacting quantum atoms study M Yahia-Ouahmed, V Tognetti, L Joubert Computational and Theoretical Chemistry 1053, 254-262, 2015 | 52 | 2015 |
| On the prediction of thermal stability of nitroaromatic compounds using quantum chemical calculations G Fayet, P Rotureau, L Joubert, C Adamo Journal of hazardous materials 171 (1-3), 845-850, 2009 | 52 | 2009 |
