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2020 – today
- 2024
[j8]Guillaume Hoffmann
, Frédéric Guégan, Vanessa Labet, Laurent Joubert, Henry Chermette, Christophe Morell, Vincent Tognetti:
Expanding horizons in conceptual density functional theory: Novel ensembles and descriptors to decipher reactivity patterns. J. Comput. Chem. 45(20): 1716-1726 (2024)- [j7]Éric Brémond, Ilaria Ciofini, Frédéric Labat, Vincent Tognetti:
Preface of Carlo Adamo's virtual special issue. J. Comput. Chem. 45(25, September): 2110-2111 (2024) - [j6]Vincent Tognetti, Laurent Joubert:
Exchange-correlation effects in interatomic energies for pure density functionals and their application to the molecular energy prediction. J. Comput. Chem. 45(27, October): 2270-2283 (2024) - [j5]Linlin Jia, Éric Brémond, Larissa Zaida, Benoit Gaüzère, Vincent Tognetti, Laurent Joubert:
Predicting redox potentials by graph-based machine learning methods. J. Comput. Chem. 45(28): 2383-2396 (2024) - 2020
- [j4]Guillaume Hoffmann, Muhammet Balcilar, Vincent Tognetti, Pierre Héroux, Benoit Gaüzère, Sébastien Adam, Laurent Joubert:
Predicting experimental electrophilicities from quantum and topological descriptors: A machine learning approach. J. Comput. Chem. 41(24): 2124-2136 (2020)
2010 – 2019
- 2019
- [j3]Juan Andrés, Paul W. Ayers, Roberto Álvarez Boto, Ramon Carbó-Dorca, Henry Chermette, Jerzy Cioslowski, Julia Contreras-Garcia, David L. Cooper, Gernot Frenking, Carlo Gatti, Farnaz Heidar-Zadeh, Laurent Joubert, Ángel Martín Pendás, Eduard Matito, István Mayer, Alston J. Misquitta, Yirong Mo, Julien Pilmé, Paul L. A. Popelier, Martin Rahm, Eloy Ramos-Cordoba, Pedro Salvador, W. H. Eugen Schwarz, Shant Shahbazian, Bernard Silvi, Miquel Solà, Krzysztof Szalewicz, Vincent Tognetti, Frank Weinhold, Émilie-Laure Zins:
Nine questions on energy decomposition analysis. J. Comput. Chem. 40(26): 2248-2283 (2019) - 2015
- [j2]Vincent Tognetti, Christophe Morell, Laurent Joubert:
Quantifying electro/nucleophilicity by partitioning the dual descriptor. J. Comput. Chem. 36(9): 649-659 (2015) - 2010
- [j1]Vincent Tognetti, Pascal Le Floch, Carlo Adamo:
How the choice of a computational model could rule the chemical interpretation: The Ni(II) catalyzed ethylene dimerization as a case study. J. Comput. Chem. 31(5): 1053-1062 (2010)
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