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Prof. Stéphane Humbel's picture
AMU iSm2 Service 561
Campus Scientifique de St Jérôme
Marseille cedex 20
Phone number
0491 28 91 79
Date of entry
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)



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


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>

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>

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>

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>

Large Hyperconjugation in Strained Systems

Julien Racine, Stéphane Humbel, Chemistry - A European Journal, 2014, 20, 12601-12606. <hal-01347475>

Hyperconjugation in Carbocations, a BLW Study with DFT approximation

Zakaria Alamiddine, Stéphane Humbel, Frontiers in Chemistry, 2014, 1, 37. <hal-01347465>

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>

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>

Bonding of Gold with Unsaturated Species

Paola Nava, Denis Hagebaum-Reignier, Stéphane Humbel, ChemPhysChem, 2012, 13, 2090 - 2096. <hal-01450857>

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>


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⟩

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⟩