Stéphane Humbel, Ph.D.
Affiliations: | Chemistry | Universite de Marseille (France) |
Area:
Theoretical ChemistryWebsite:
http://ism2.univ-amu.fr/permanents/HUMBEL.phpGoogle:
"Stéphane Humbel"Mean distance: 8.39 | S | N | B | C | P |
Parents
Sign in to add mentor| Philippe Hiberty | grad student | 1995 | Université Paris-Sud 11 | |
| (Breathing Orbital Valence Bond theory, application to 2c-3e bonding) | ||||
| Keiji Morokuma | post-doc | 1995-1996 | Emory | |
| (ONIOM method) | ||||
Children
Sign in to add trainee| Etienne Derat | grad student | 2001-2004 | |
| Mathieu Linares | grad student | 2002-2005 | Université de Marseille |
| Julien Racine | grad student | 2012-2016 | Universite de Marseille (France) |
| Paola Nava | post-doc | 2009 | Université de Marseille |
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Publications
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| Kong L, Chou Y, Albalat M, et al. (2023) -Symmetric atropisomeric N-heterocyclic carbene-palladium(II) complexes: synthesis, chiral resolution, and application in the enantioselective α-arylation of amides. Dalton Transactions (Cambridge, England : 2003) |
| Morvan J, Bouëtard D, Kong L, et al. (2023) Chiral Atropisomeric-NHC Catechodithiolate Ruthenium Complexes for Z-Selective Asymmetric Ring-Opening Cross Metathesis of Exo-Norbornenes. Chemistry (Weinheim An Der Bergstrasse, Germany). e202300341 |
| Chaussy L, Hagebaum-Reignier D, Humbel S, et al. (2022) Accurate computed singlet-triplet energy differences for cobalt systems: implication for two-state reactivity. Physical Chemistry Chemical Physics : Pccp. 24: 21841-21852 |
| Savchuk M, Bocquin L, Albalat M, et al. (2021) Transition metal complexes bearing atropisomeric saturated NHC ligands. Chirality |
| Khatmi DE, Bezzina B, Humbel S. (2020) Binding kinetics calculations of the inclusion of some benzoic acid derivatives and paracetamol in β CD Journal of Inclusion Phenomena and Macrocyclic Chemistry. 96: 373-379 |
| Kong L, Morvan J, Pichon D, et al. (2019) From Prochiral N-Heterocyclic Carbenes (NHCs) to Optically Pure Metal Complexes: New Opportunities in Asymmetric Catalysis. Journal of the American Chemical Society |
| Bezzina B, Djémil R, Khatmi De, et al. (2018) Computational insights about the dynamic behavior for the inclusion process of deprotonated and neutral aspirin in β-cyclodextrin Journal of Inclusion Phenomena and Macrocyclic Chemistry. 92: 115-127 |
| Racine J, Touadjine MA, Rahmouni A, et al. (2017) Methylenecyclopropene: local vision of the first (1)B2 excited state. Journal of Molecular Modeling. 23: 22 |
| Racine J, Carissan Y, Hagebaum-Reignier D, et al. (2017) A generalized Brillouin theorem (GBT)-like implementation to optimize Valence Bond wave function for excited states Computational and Theoretical Chemistry. 1116: 184-189 |
| Touadjine AM, Mostefai A, Rahmouni A, et al. (2017) A theoretical study of atropisomerism in N-(2-methylphenyl)-N′-(2-methylphenyl) thiourea and its inclusion in the β-cyclodextrin Journal of Inclusion Phenomena and Macrocyclic Chemistry. 88: 199-207 |