Prof. Stéphane HUMBEL
Prof.
Stéphane
HUMBEL
AMU iSm2 Service 561
Campus Scientifique de St Jérôme
13397
Marseille cedex 20
Phone number :
Fax :
0491 28 91 79
Other websites :
Date of entry :
01/01/2008
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)
Teachings :
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
orcid.org/0000-0001-5405-1848
Publications (56)
Reference
Graphical abstract
HAL
Determination of dissolved nickel in natural waters using a rapid microplate fluorescence assay method
Fabien Robert-Peillard, El Mountassir El Mouchtari, Damien Bonne, Stéphane Humbel, Jean-Luc Boudenne, Bruno Coulomb, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy [1994-...], 2022, 275, 121170. <hal-03621175>
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Electronic densities and valence bond wave functions
D. Hagebaum-Reignier, J. Racine, Stéphane Humbel, Journal of Chemical Physics, 2022, 156, 204310. <hal-03678547>
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Transition metal complexes bearing atropisomeric saturated NHC ligands
Mariia Savchuk, Lucas Bocquin, Muriel Albalat, Marion Jean, Nicolas Vanthuyne, Paola Nava, Stéphane Humbel, Damien Hérault, Hervé Clavier, Chirality, 2022, 34, 13-26. <hal-03500191>
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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, Stéphane Humbel, Kefi Riadh, Journal of Molecular Structure, 2021, 1229, 129838. <hal-03105659>
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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>
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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>
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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>
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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>
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Binding kinetics calculations of the inclusion of some benzoic acid derivatives and paracetamol in β CD
Djamel Eddine Khatmi, Belgacem Bezzina, Stéphane Humbel, Journal of Inclusion Phenomena and Macrocyclic Chemistry, 2020, 96, 373–379. <hal-02922032>
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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>
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Pages
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⟩
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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⟩
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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
orcid.org/0000-0001-5405-1848
| Reference | Graphical abstract | HAL |
|---|---|---|
|
Determination of dissolved nickel in natural waters using a rapid microplate fluorescence assay method |
|
✓ |
|
Electronic densities and valence bond wave functions |
|
✓ |
|
Transition metal complexes bearing atropisomeric saturated NHC ligands |
|
✓ |
|
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 |
|
✓ |
|
C 1 ‐Symmetric Atropisomeric NHC Palladium(II) Complexes: Synthesis, Resolution and Characterization |
|
✓ |
|
Simultaneous Control of Central and Helical Chiralities: Expedient Helicoselective Synthesis of Dioxa[6]helicenes |
|
✓ |
|
Computational studies of Ni(II) photosensitizers complexes containing 1,1′-bis(diphenylphosphino)ferrocene and dithio ligands |
|
✓ |
|
From Prochiral N-Heterocyclic Carbenes to Optically Pure Metal Complexes New Opportunities in Asymmetric Catalysis |
|
✓ |
|
Binding kinetics calculations of the inclusion of some benzoic acid derivatives and paracetamol in β CD |
|
✓ |
|
Predicted Gas-Phase and Liquid-Phase Acidities of Carborane Carboxylic and Dicarboxylic Acids |
|
✓ |
Pages
| 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⟩ |
|
✖ |
| 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⟩ |
|
✖ |