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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 (32)
RéférenceRésumé graphique
Recasting Wave Functions into Valence Bond Structures: A Simple Projection Method to Describe Excited States

Julien Racine, Denis Hagebaum-Reignier, Yannick Carissan, Stéphane Humbel J. Comp. Chem. 2016, 37, 771–779
Weight Watchers électronique : calculez votre poids de formes résonantes

Y. Carissan, D. Hagebaum-Reignier, N. Goudard, S. Humbel l'actualité chimique 2016, 406, 36-40
Mesomerism, Ring & Substituent Effects, A Computational Chemistry Experiments

D. Khatmi, Y. Carissan, D. Hagebaum-Reignier, N. Goudard, S. Humbel Journal of Laboratory Chemical Education 2016, 4, 25-34.
Chemodivergent palladium-catalyzed processes: role of versatile ligands

P. Nava, H. Clavier, Y. Gimbert, L. Giordano, G. Buono, S. Humbel, ChemCatChem 2015, 7, 3848 – 3854
Hyperconjugation in Carbocations, a BLW Study with DFT approximation

Z. Alamiddine, S. Humbel, Front. Chem. 2014, 1, 37. doi: 10.3389/fchem. 2013.00037
Large Hyperconjugation in Strained Systems

Julien Racine and Stéphane Humbel, Chem. Eur. J. 2014, 20, 12601-12606.
The Valence Bond Workshop in Paris: The Phoenix Rises from the Ashes or, Has a Love Story with MO-Based Theories Begun?

B. Braïda, E. Derat, S. Humbel, P.C Hiberty, S. Shaik ChemPhysChem 2012, 13, 4029 - 4030
Successful MALDI-MS Analysis of Synthetic Polymers with Labile End-Groups: The Case of Nitroxide-Mediated Polymerization Using the MAMA-SG1 Alkoxyamine

C. Barrere, C. Chendo, T. N. T. Phan, V. Monnier, T. Trimaille, S. Humbel, S. Viel, D. Gigmes, L. Charles Chem. Eur. J. 2012, 18, 7916 - 7924
Dissociation characteristics of alpha,omega-dihydride poly(dimethylsiloxane) ammonium adducts generated by electrospray ionization

Thierry Fouquet, Stéphane Humbel, Laurence Charles Int. J. Mass Spectrom. 2011, 306, 70-76
Do Platinum(II) and Palladium(II) Phosphinito Phosphinous Acids Generate the Same Type of Reactive Intermediate in Alkyne Coordination? A Gas-Phase Study with Phenylethyne and Propargyl Acetate

Magdalena Karanik, Denis Lesage, Yves Gimbert, Paola Nava, Stéphane Humbel, Laurent Giordano, Gérard Buono, Jean-Claude Tabet Organometallics, 2011, 30, 4814-4821


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〉