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
Differentiation of heterocyclic regioisomers: a combined tandem mass spectrometry and computational study of N-acridin-4-ylbenzylamide and N-acridin-2-ylbenzylamide
A. Tintaru, Y. Benchabane, G. Boyer, S. Humbel, L. Charles - Rapid Commun Mass Spectrom. 2008, 22, 687-693.
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Hückel-Lewis Projection Method: A “Weights Watcher” for Mesomeric Structures †
Yannick Carissan, Denis Hagebaum-Reignier, Nicolas Goudard, Stéphane Humbel, Journal of Physical Chemistry A, 2008, 112, 13256 - 13262. <hal-01447595>
✓
Tandem mass spectrometry of doubly charged poly(ethylene oxide) oligomers produced by electrospray ionization
Marion Girod, Yannick Carissan, Stéphane Humbel, Laurence Charles, International Journal of Mass Spectrometry, 2008, 272, 1 - 11. <hal-01447597>
✓
Valence Bond Approach of Metal Ligand Bonding in the Dewar-Chatt-Duncanson Model
M. Linares, B. Braïda, S. Humbel Inorg. Chem 2007, 46, 11390-11396
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Getting the Weights of Lewis Structures out of Hückel Theory. Hückel-Lewis Configuration Interaction (HL-CI)
S. Humbel J. Chem. Educ. 2007, 84, 1056-1061.
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Quantifying pi Effects Through a Lewis Valence Bond Approach: Application to Haloallyl and carbonyl Cations
M. Linares, B. Braïda, S. Humbel Faraday Discussions 2007, 135, 273-283.
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Hückel theory for Lewis structures: Hückel–Lewis Configuration Interaction (HL-CI)
Denis Hagebaum-Reignier, Raphaël Girardi, Yannick Carissan, Stéphane Humbel, Journal of Molecular Structure: THEOCHEM, 2007, 817, 99 - 109. <hal-01447600>
✓
Quantifying resonance through a Lewis Valence Bond approach: application to haloallyl and carbonylcations
Mathieu Linares, Stéphane Humbel, Benoît Braïda, Faraday Discussions, 2007, 135, 273--283. <hal-01627885>
✓
Reactivity of Dialkylzirconium Species and Solvent Polarity
E. Derat, J. Bouquant, P. Bertus, J. Szymoniak, S. Humbel Int. J. Quant. Chem. 2006, 106, 704-711
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Lewis-Based Valence Bond Scheme: Application to the Allyl Cation
M. Linares, B. Braïda, S. Humbel J. Phys. Chem. A 2006, 110, 2505-2509.
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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⟩
✖
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 |
|---|---|---|
|
Differentiation of heterocyclic regioisomers: a combined tandem mass spectrometry and computational study of N-acridin-4-ylbenzylamide and N-acridin-2-ylbenzylamide |
|
✖ |
|
Hückel-Lewis Projection Method: A “Weights Watcher” for Mesomeric Structures † |
|
✓ |
|
Tandem mass spectrometry of doubly charged poly(ethylene oxide) oligomers produced by electrospray ionization |
|
✓ |
|
Valence Bond Approach of Metal Ligand Bonding in the Dewar-Chatt-Duncanson Model |
|
✖ |
|
Getting the Weights of Lewis Structures out of Hückel Theory. Hückel-Lewis Configuration Interaction (HL-CI) |
|
✖ |
|
Quantifying pi Effects Through a Lewis Valence Bond Approach: Application to Haloallyl and carbonyl Cations |
|
✖ |
|
Hückel theory for Lewis structures: Hückel–Lewis Configuration Interaction (HL-CI) |
|
✓ |
|
Quantifying resonance through a Lewis Valence Bond approach: application to haloallyl and carbonylcations |
|
✓ |
|
Reactivity of Dialkylzirconium Species and Solvent Polarity |
|
✖ |
|
Lewis-Based Valence Bond Scheme: Application to the Allyl Cation |
|
✖ |
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⟩ |
|
✖ |