Prof. Stéphane HUMBEL
Prof.
Stéphane
HUMBEL
AMU iSm2 Service 561
Campus Scientifique de St Jérôme
13397
Marseille cedex 20
Phone number :
Fax :
0491 28 91 79
Other websites :
Date of entry :
01/01/2008
PhD subject :
Valence Bond method with Breathng Orbitals
Career path :
Career path
- Studies at Orsay university
- PhD on the Valence Bond method at Orsay university (supervisor P.C. Hiberty) 1992-1995
- Postdoc on the ONIOM method at Emory university (with K. Morokuma) (1995-1996)
- Ass. Prof at Reims University between (1996-2002)
- Prof at Marseille (since 2002)
Teachings :
Teaching and related
L1 PC et Bio (Aix) : Atomistique
L2 : Intr. Phys et Chimie Quantique
L3 : Symétrie
M1 Chimie : Laboratoire de modélisation
Research themes :
Research topics
Chemical bonding
VB methods
Reaction mechanisms
Electron delocalization
orcid.org/0000-0001-5405-1848
Publications (57)
Reference
Graphical abstract
HAL
Recasting Wave Functions into Valence Bond Structures: A Simple Projection Method to Describe Excited States
Julien Racine, Denis Hagebaum-Reignier, Yannick Carissan, Stephane Humbel, Journal of Computational Chemistry, 2016, 37, 771-779. <hal-01306875>
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Molecular dynamics and quantum mechanics study of the [2-oxo-N-phenyl-3-oxazolidinesulfonamide@β-cyclodextrin] complex
Mansour Mohamed Bounab, Khatmi Djameleddine, Humbel Stéphane, Rayenne Djémil, Madi Fatiha, Nouar Leila, Journal of Molecular Liquids, 2016, 222, 777 - 782. <hal-01449388>
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Corrigendum: Chemodivergent Palladium-Catalyzed Processes: Role of Versatile Ligands
Paola Nava, Hervé Clavier, Laurent Giordano, Gerard Buono, Stéphane Humbel, ChemCatChem, 2016, 8, 471 - 471. <hal-01644570>
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Chemodivergent Palladium-Catalyzed Processes: Role of Versatile Ligands
Paola Nava, Hervé Clavier, Yves Gimbert, Laurent Giordano, Gérard Buono, Stéphane Humbel, ChemCatChem, 2015, 7, 3848-3854. <hal-01409758>
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Large Hyperconjugation in Strained Systems
Julien Racine, Stéphane Humbel, Chemistry - A European Journal, 2014, 20, 12601-12606. <hal-01347475>
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Hyperconjugation in Carbocations, a BLW Study with DFT approximation
Zakaria Alamiddine, Stéphane Humbel, Frontiers in Chemistry, 2014, 1, 37. <hal-01347465>
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On the Catalysis of the Cycloisomerization of 1,6-Dienes with Tin(IV) Salts: The Important Role of a Water Molecule
Paola Nava, Yannick Carissan, Jean Drujon, Fanny Grau, Julien Godeau, Sylvain Antoniotti, Elisabet Duñach, Stéphane Humbel, ChemCatChem, 2014, 6, 500 – 507. <hal-01347469>
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The Valence Bond Workshop in Paris: The Phoenix Rises from the Ashes or, Has a Love Story with MO-Based Theories Begun?
Benoît Braïda, Etienne Derat, Stéphane Humbel, Philippe C. Hiberty, Sason Shaik, ChemPhysChem, 2012, 13, 4029--4030. <hal-01627702>
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Bonding of Gold with Unsaturated Species
Paola Nava, Denis Hagebaum-Reignier, Stéphane Humbel, ChemPhysChem, 2012, 13, 2090 - 2096. <hal-01450857>
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Successful MALDI-MS Analysis of Synthetic Polymers with Labile End-Groups: The Case of Nitroxide-Mediated Polymerization Using the MAMA-SG1 Alkoxyamine
Caroline Barrère, Christophe Chendo, Trang N. T. Phan, Valérie Monnier, Thomas Trimaille, Stéphane Humbel, Stéphane Viel, Didier Gigmes, Laurence Charles, Chemistry - A European Journal, 2012, 18, 7916-7924. <hal-01460353>
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Pages
Oral or poster communication (1)
Reference
Graphical abstract
HAL
Yannick Carissan, Denis Hagebaum-Reignier, Nicolas Goudard, Stéphane Humbel. HuLiS a program to recast molecular orbital wave functions into Lewis structures. 5th International Conference on Mathematical Modeling in Physical Sciences, May 2016, Athènes, Greece. ⟨hal-01408046⟩
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Chapters of books (1)
Reference
Graphical abstract
HAL
Yannick Carissan, Goudard Nicolas, Denis Hagebaum-Reignier, Stéphane Humbel. Localized Structures at the Hückel Level, a Hückel-Derived Valence Bond Method. Applications of Topological Methods in Molecular Chemistry, 2016. ⟨hal-02095737⟩
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Career path
- Studies at Orsay university
- PhD on the Valence Bond method at Orsay university (supervisor P.C. Hiberty) 1992-1995
- Postdoc on the ONIOM method at Emory university (with K. Morokuma) (1995-1996)
- Ass. Prof at Reims University between (1996-2002)
- Prof at Marseille (since 2002)
Teaching and related
L1 PC et Bio (Aix) : Atomistique
L2 : Intr. Phys et Chimie Quantique
L3 : Symétrie
M1 Chimie : Laboratoire de modélisation
Research topics
Chemical bonding
VB methods
Reaction mechanisms
Electron delocalization
orcid.org/0000-0001-5405-1848
| Reference | Graphical abstract | HAL |
|---|---|---|
|
Recasting Wave Functions into Valence Bond Structures: A Simple Projection Method to Describe Excited States |
|
✓ |
|
Molecular dynamics and quantum mechanics study of the [2-oxo-N-phenyl-3-oxazolidinesulfonamide@β-cyclodextrin] complex |
|
✖ |
|
Corrigendum: Chemodivergent Palladium-Catalyzed Processes: Role of Versatile Ligands |
|
✓ |
|
Chemodivergent Palladium-Catalyzed Processes: Role of Versatile Ligands |
|
✓ |
|
Large Hyperconjugation in Strained Systems |
|
✓ |
|
Hyperconjugation in Carbocations, a BLW Study with DFT approximation |
|
✓ |
|
On the Catalysis of the Cycloisomerization of 1,6-Dienes with Tin(IV) Salts: The Important Role of a Water Molecule |
|
✓ |
|
The Valence Bond Workshop in Paris: The Phoenix Rises from the Ashes or, Has a Love Story with MO-Based Theories Begun? |
|
✓ |
|
Bonding of Gold with Unsaturated Species |
|
✓ |
|
Successful MALDI-MS Analysis of Synthetic Polymers with Labile End-Groups: The Case of Nitroxide-Mediated Polymerization Using the MAMA-SG1 Alkoxyamine |
|
✓ |
Pages
| Reference | Graphical abstract | HAL |
|---|---|---|
|
Yannick Carissan, Denis Hagebaum-Reignier, Nicolas Goudard, Stéphane Humbel. HuLiS a program to recast molecular orbital wave functions into Lewis structures. 5th International Conference on Mathematical Modeling in Physical Sciences, May 2016, Athènes, Greece. ⟨hal-01408046⟩ |
|
✖ |
| Reference | Graphical abstract | HAL |
|---|---|---|
|
Yannick Carissan, Goudard Nicolas, Denis Hagebaum-Reignier, Stéphane Humbel. Localized Structures at the Hückel Level, a Hückel-Derived Valence Bond Method. Applications of Topological Methods in Molecular Chemistry, 2016. ⟨hal-02095737⟩ |
|
✖ |