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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

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.

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

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.

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.

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

Lewis-Based Valence Bond Scheme: Application to the Allyl Cation

M. Linares, B. Braïda, S. Humbel J. Phys. Chem. A 2006, 110, 2505-2509.


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⟩