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Prof.
 
Stéphane
 
HUMBEL

Portrait de Prof. Stéphane Humbel
Prof.
Stéphane
HUMBEL
AMU iSm2 Service 561
Campus Scientifique de St Jérôme
13397
Marseille cedex 20
Téléphone
Fax
0491 28 91 79
Sujet de thèse
Valence Bond method with Breathng Orbitals
Parcours

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)

 

Enseignements

Teaching and related

L1 PC et Bio (Aix) : Atomistique
L2 : Intr. Phys et Chimie Quantique
L3 : Symétrie
M1 Chimie : Laboratoire de modélisation
 

Thématiques

Research topics

Chemical bonding

VB methods

Reaction mechanisms

Electron delocalization

 

orcid.org/0000-0001-5405-1848

 

Publications (53)
Reference Résumé graphique HAL

A zero dimensional hybrid organic-inorganic perovskite CuCl 4 based: Synthesis, crystal structure, vibrational, optical properties, DFT and TDFT calculations, dielectric properties and biological activity

Aroussia Hachani, Imen Dridi, Abdelhak Othmani, Thierry Roisnel, Humbel Stéphane, Kefi Riadh, Journal of Molecular Structure, 2021, 1229, 129838. <hal-03105659>

C 1 ‐Symmetric Atropisomeric NHC Palladium(II) Complexes: Synthesis, Resolution and Characterization

Lingyu Kong, Yajie Chou, Marion Jean, Muriel Albalat, Nicolas Vanthuyne, Paola Nava, Stéphane Humbel, Hervé Clavier, Advanced Synthesis and Catalysis, 2021, 363, 4229-4238. <hal-03338494>

Simultaneous Control of Central and Helical Chiralities: Expedient Helicoselective Synthesis of Dioxa[6]helicenes

Peng Liu, Xiaoze Bao, Jean-Valère Naubron, Sara Chentouf, Stéphane Humbel, Nicolas Vanthuyne, Marion Jean, Laurent Giordano, Jean Rodriguez, Damien Bonne, Journal of the American Chemical Society, 2020, 142, 16199-16204. <hal-02953766>

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>

Binding kinetics calculations of the inclusion of some benzoic acid derivatives and paracetamol in β CD

Djamel Khatmi, Belgacem Bezzina, Stéphane Humbel, Journal of Inclusion Phenomena and Macrocyclic Chemistry, 2020, 96, 373–379. <hal-02922032>

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>

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

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

Computational insights about the dynamic behavior for the inclusion process of deprotonated and neutral aspirin in beta-cyclodextrin

Belgacem Bezzina, Rayenne Djémil, Djamel Eddine Khatmi, Stéphane Humbel, Yannick Carissan, Journal of Inclusion Phenomena and Macrocyclic Chemistry, 2018, 92, 115-127. <hal-02168191>

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

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

Metal-catalyzed rearrangement of allenylsulfides to furan: A theoretical mechanistic approach

Michel Rajzmann, Jianbo Wang, Stéphane Humbel, Journal of Molecular Catalysis, 2017, 443, 148 - 154. <hal-01629621>

Pages

Communications orales et par affiche (1)
Reference Résumé graphique 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⟩

Chapitres d'ouvrages (1)
Reference Résumé graphique 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⟩