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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 Breathing 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 (56)
Reference Graphical abstract HAL

Computational studies of Ni(II) photosensitizers complexes containing 1,1′-bis(diphenylphosphino)ferrocene and dithio ligands

Sefia Brahim, Houari Brahim, Stéphane Humbel, Ali Rahmouni, Canadian Journal of Chemistry, 2020, 94, 194-203. <hal-02512291>

From Prochiral N-Heterocyclic Carbenes to Optically Pure Metal Complexes New Opportunities in Asymmetric Catalysis

Lingyu Kong, Jennifer Morvan, Delphine Pichon, Marion Jean, Muriel Albalat, Thomas Vives, Sophie Colombel-Rouen, Michel Giorgi, Vincent Dorcet, Thierry Roisnel, Christophe Crévisy, Didier Nuel, Paola Nava, Stéphane Humbel, Nicolas Vanthuyne, Marc Mauduit, Hervé Clavier, Journal of the American Chemical Society, 2020, 142, 93-98. <hal-02442228>

Predicted Gas-Phase and Liquid-Phase Acidities of Carborane Carboxylic and Dicarboxylic Acids

Josep M Oliva-Enrich, Stéphane Humbel, J. Arturo Arturo Santaballa, Ibon Alkorta, Rafael Notario, Juan Z Dávalos, Moisés Canle-L, Eduard Bernhardt, Josef Holub, Drahomír Hnyk, ChemistrySelect, 2018, 3, 4344 - 4353. <hal-01790222>

Proton affinities of amino group functionalizing 2D and 3D boron compounds

Josep M Oliva-Enrich, Stéphane Humbel, Juan Z Dávalos, Josef Holub, Drahomír Hnyk, Afinidad, 2018, 75, 260-266. <hal-02138836>

A generalized Brillouin theorem (GBT)-like implementation to optimize Valence Bond wave function for excited states

Julien Racine, Yannick Carissan, Denis Hagebaum-Reignier, Stéphane Humbel, Computational and Theoretical Chemistry, 2017, 1116, 184 - 189. <hal-01469404>

A theoretical study of atropisomerism in N-(2-methylphenyl)-N′-(2-methylphenyl) thiourea and its inclusion in the β-cyclodextrin

Stéphane Humbel, A. Touadjine, A. Mostefai, A. Rahmouni, A. Krallafa, Journal of Inclusion Phenomena and Macrocyclic Chemistry, 2017, 88, 199-207. <hal-01635327>

MethyleneCycloPropene: Local Vision of the first 1 B 2 excited state

Julien Racine, Mohamed Abdelhak Touadjine, Ali Rahmouni, Stéphane Humbel, Journal of Molecular Modeling, 2017, 1116, 184 - 189. <hal-01539634>

HuLiS, a program to teach mesomerism and more

Nicolas M Goudard, Denis M Hagebaum-Reignier, Stéphane Humbel, Yannick Carissan, Journal of Physics: Conference Series, 2016, 738, 12015 - 12015. <hal-01380727>

Mesomerism, Ring & Substituent Effects, A Computational Chemistry Experiments

Djameleddine Khatmi, Yannick Carissan, Denis Hagebaum-Reignier, Nicolas Goudard, Stéphane Humbel, journal of laboratory chemical education, 2016, 4, 25-34. <hal-01347226>

Weight Watchers électronique : calculez votre poids de formes résonantes

Yannick Carissan, Denis Hagebaum-Reignier, Stephane Humbel, Nicolas Goudard, L'Actualité Chimique, 2016, 406, 36-40. <hal-01347244>


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⟩