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Laurent Joubert
Laurent Joubert
Professeur des Universités, Université de Rouen
Zweryfikowany adres z univ-rouen.fr
Tytuł
Cytowane przez
Cytowane przez
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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
2122002
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
1622001
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
1422013
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
1272019
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
1072014
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
1032013
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
932014
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
852006
Condensed descriptors for reactivity: a methodological study
F Zielinski, V Tognetti, L Joubert
Chemical Physics Letters 527, 67-72, 2012
832012
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
782013
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
702002
The elusive atomic rationale for DNA base pair stability
PLA Popelier, L Joubert
Journal of the American Chemical Society 124 (29), 8725-8729, 2002
662002
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
661998
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
642009
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
602013
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
592008
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
582011
Improved convergence of the ‘atoms in molecules’ multipole expansion of electrostatic interaction
L Joubert, PLA Popelier
Molecular Physics 100 (21), 3357-3365, 2002
532002
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
522015
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
502009
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