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Prof. Stéphane Humbel's picture
AMU iSm2 Service 561
Campus Scientifique de St Jérôme
Marseille cedex 20

0491 28 91 79

Sujet de thèse
Valence Bond method with Breathng Orbitals

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


Publications (41)
RéférenceRésumé graphique
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.
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
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>
Lewis-Based Valence Bond Scheme: Application to the Allyl Cation

M. Linares, B. Braïda, S. Humbel J. Phys. Chem. A 2006, 110, 2505-2509.
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
Hydrometalation or Condensation in the Reaction of Cl2ZrEt2 with H2CO. A Theoretical Account.

E. Derat, J. Bouquant, P. Bertus, J. Szymoniak, S. Humbel, Organometallics 2004, 23, 2892-2899
Theoretical study of the semi-hydrogenation of alkynes catalyzed by Pd(0) complexes: Is a zwitterionic pathway possible?

A. Dedieu, S. Humbel, C.J. Elsevier, C. Grauffel Theor. Chem. Acc. 2004, 112(4), 305-312.
Trans-Bis-[(-)ephedrinate]-palladiumII Complex: Synthesis and Molecular Modeling

S. Bouquillon, S. Humbel, F. Hénin, and J. Muzart, J. Organomet. Chem. 2003, 687, 377-383.
On the Link Atom Distance in the ONIOM Scheme, An Harmonic Approximation Analysis

E. Derat, J. Bouquant and S. Humbel, J. Mol. Struct. Theochem 2003, 632, 61-69.


Communications orales et par affiche (1)
RéférenceRésumé graphique
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. Proceedings, 5th International Conference on Mathematical Modeling in Physical Sciences (IC-MSQUARE 2016) (ICMSQ 16) : Athens, Greece, May 23-26, 2016. 〈hal-01408046〉