Stephane Humbel

82 %
Libre accès
90
Documents
Affiliations actuelles
  • Institut des Sciences Moléculaires de Marseille (ISM2)
  • Chimie Theorique et Modèles (CTOM)
Contact

Publications

Publications

Deposit thumbnail

From Hückel to Clar: a Block-Localized Description of Aromatic Systems

Fabien Barrois , Yannick Carissan , Nicolas Goudard , Denis Hagebaum-Reignier , Stéphane Humbel

Pure and Applied Chemistry, 2025, 97 (9), pp.1033-1045. ⟨10.1515/pac-2025-0495⟩

Article dans une revue hal-05346523v1
Deposit thumbnail

Rational Control of C–N Axial Chirality in Bis-Pentatomic N-Pyrazolyl Maleimides through an Experimental and Computational Approach

Adrián López‐francés , Jessica Rodrigues , Stéphane Humbel , Jean Rodriguez , Muriel Amatore et al.

European Journal of Organic Chemistry, 2025, 28 (31), pp.e202500485. ⟨10.1002/ejoc.202500485⟩

Article dans une revue hal-05452352v1
Deposit thumbnail

Spectroscopy of End-On Copper(II) Superoxido Complexes: A Wave Function-Based Analysis

Léo Chaussy , Vijay Gopal Chilkuri , Stéphane Humbel , Paola Nava

Inorganic Chemistry, 2024, 63 (18), pp.8038-8049. ⟨10.1021/acs.inorgchem.3c04401⟩

Article dans une revue hal-04595349v1
Deposit thumbnail

Atropisomeric N‐Heterocyclic Carbene‐Palladium(II) Complexes: Influence of the Backbone Substitution

Yajie Chou , Mathilde Vançon , Muriel Albalat , Carla Deschodt , Paola Nava et al.

European Journal of Inorganic Chemistry, 2024, 27 (12), ⟨10.1002/ejic.202300780⟩

Article dans une revue hal-04781573v1
Deposit thumbnail

Padlocking dihydrofurannulation for the control of small degree of helicity built on a fused-tetracyclic core

Arthur Gaucherand , Expédite Yen-Pon , Diego García-López , Jean-Valère Naubron , Sara Chentouf et al.

Chemical Science, 2024, 15 (19), pp.7300 - 7307. ⟨10.1039/d4sc00745j⟩

Article dans une revue hal-04616826v1
Deposit thumbnail

The Adaptative Modulation of the Phosphinito–Phosphinous Acid Ligand: Computational Illustration Through Palladium-Catalyzed Alcohol Oxidation

Romain Membrat , Tété Etonam Kondo , Alexis Agostini , Alexandre Vasseur , Paola Nava et al.

Molecules, 2024, 29 (21), pp.4999. ⟨10.3390/molecules29214999⟩

Article dans une revue hal-04760697v1
Deposit thumbnail

Evaluation de l’énergie de la liaison hydrogène (HB) de l’almazole D révisé par la méthode MTA (Molecular Tailoring Approach)

Bédié Mbow , Stéphane Humbel

Revue RAMReS – Sciences Appliquées et de l’Ingénieur, 2024, Sciences Appliquées et de l’Ingénieur, 6 (1), pp.6

Article dans une revue hal-05142988v1
Deposit thumbnail

C2 -Symmetric atropisomeric N-heterocyclic carbene–palladium( ii ) complexes: synthesis, chiral resolution, and application in the enantioselective α-arylation of amides

Lingyu Kong , Yajie Chou , Muriel Albalat , Marion Jean , Nicolas Vanthuyne et al.

Dalton Transactions, 2023, 52 (25), pp.8728-8736. ⟨10.1039/d3dt01182h⟩

Article dans une revue hal-04142950v1
Deposit thumbnail

Chiral Atropisomeric-NHC Catechodithiolate Ruthenium Complexes for Z-Selective Asymmetric Ring-Opening Cross Metathesis of Exo-Norbornenes

Jennifer Morvan , Dylan Bouëtard , Lingyu Kong , Yajie Chou , Thomas Vives et al.

Chemistry - A European Journal, 2023, pp.e202300341. ⟨10.1002/chem.202300341⟩

Article dans une revue hal-04061751v1
Deposit thumbnail

Transition metal complexes bearing atropisomeric saturated NHC ligands

Mariia Savchuk , Lucas Bocquin , Muriel Albalat , Marion Jean , Nicolas Vanthuyne et al.

Chirality, 2022, 34 (1), pp.13-26. ⟨10.1002/chir.23378⟩

Article dans une revue hal-03500191v1
Deposit thumbnail

Electronic densities and valence bond wave functions

D. Hagebaum-Reignier , J. Racine , Stéphane Humbel

The Journal of Chemical Physics, 2022, 156 (20), pp.204310. ⟨10.1063/5.0094554⟩

Article dans une revue hal-03678547v1
Deposit thumbnail

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 et al.

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy [1994-..], 2022, 275, pp.121170. ⟨10.1016/j.saa.2022.121170⟩

Article dans une revue hal-03621175v1
Deposit thumbnail

Accurate computed singlet–triplet energy differences for cobalt systems: implication for two-state reactivity

Léo Chaussy , Denis Hagebaum-Reignier , Stéphane Humbel , Paola Nava

Physical Chemistry Chemical Physics, 2022, 24 (36), pp.21841-21852. ⟨10.1039/D2CP03291K⟩

Article dans une revue hal-03836748v1
Deposit thumbnail

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 et al.

Journal of Molecular Structure, 2021, 1229, pp.129838. ⟨10.1016/j.molstruc.2020.129838⟩

Article dans une revue hal-03105659v1
Deposit thumbnail

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

Lingyu Kong , Yajie Chou , Marion Jean , Muriel Albalat , Nicolas Vanthuyne et al.

Advanced Synthesis and Catalysis, 2021, 363 (17), pp.4229-4238. ⟨10.1002/adsc.202100491⟩

Article dans une revue hal-03338494v1
Deposit thumbnail

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 et al.

Journal of the American Chemical Society, 2020, 142 (1), pp.93-98. ⟨10.1021/jacs.9b12698⟩

Article dans une revue hal-02442228v1
Deposit thumbnail

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 (3-4), pp.373-379. ⟨10.1007/s10847-020-00976-1⟩

Article dans une revue hal-02922032v1
Deposit thumbnail

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 (4), pp.194-203. ⟨10.1139/cjc-2019-0168⟩

Article dans une revue hal-02512291v1
Deposit thumbnail

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 et al.

Journal of the American Chemical Society, 2020, 142 (38), pp.16199-16204. ⟨10.1021/jacs.0c07995⟩

Article dans une revue hal-02953766v1
Deposit thumbnail

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 et al.

ChemistrySelect, 2018, 3 (16), pp.4344 - 4353. ⟨10.1002/slct.201800683⟩

Article dans une revue hal-01790222v1
Deposit thumbnail

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 (584), pp.260-266

Article dans une revue hal-02138836v1
Deposit thumbnail

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 (1-2), pp.115-127. ⟨10.1007/s10847-018-0822-0⟩

Article dans une revue hal-02168191v2
Deposit thumbnail

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, pp.184 - 189. ⟨10.1007/s00894-016-3191-x⟩

Article dans une revue hal-01539634v1
Deposit thumbnail

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

Michel Rajzmann , Jianbo Wang , Stéphane Humbel

Journal of Molecular Catalysis, 2017, 443, pp.148 - 154. ⟨10.1016/j.mcat.2017.09.031⟩

Article dans une revue hal-01629621v1
Deposit thumbnail

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 (3-4), pp.199-207. ⟨10.1007/s10847-017-0719-3⟩

Article dans une revue hal-01635327v1
Deposit thumbnail

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, pp.184 - 189. ⟨10.1016/j.comptc.2017.01.019⟩

Article dans une revue hal-01469404v1

Corrigendum: Chemodivergent Palladium-Catalyzed Processes: Role of Versatile Ligands

Paola Nava , Hervé Clavier , Laurent Giordano , Gerard Buono , Stéphane Humbel

ChemCatChem, 2016, 8 (2), pp.471 - 471. ⟨10.1002/cctc.201501320⟩

Article dans une revue hal-01644570v1
Deposit thumbnail

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, pp.12015 - 12015. ⟨10.1088/1742-6596/738/1/012015⟩

Article dans une revue hal-01380727v1

Molecular dynamics and quantum mechanics study of the [2-oxo-N-phenyl-3-oxazolidinesulfonamide@β-cyclodextrin] complex

Mansour Mohamed Bounab , Khatmi Djameleddine , Humbel Stéphane , Rayenne Djémil , Madi Fatiha et al.

Journal of Molecular Liquids, 2016, 222, pp.777 - 782. ⟨10.1016/j.molliq.2016.07.121⟩

Article dans une revue hal-01449388v1
Deposit thumbnail

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 (2), pp.25-34. ⟨10.5923/j.jlce.20160402.01⟩

Article dans une revue hal-01347226v1
Deposit thumbnail

Recasting Wave Functions into Valence Bond Structures: A Simple Projection Method to Describe Excited States

Julien Racine , Denis Hagebaum-Reignier , Yannick Carissan , Stephane Humbel

Journal of Computational Chemistry, 2016, 37 (8), pp.771-779. ⟨10.1002/jcc.24267⟩

Article dans une revue hal-01306875v1
Deposit thumbnail

Weight Watchers électronique : calculez votre poids de formes résonantes

Yannick Carissan , Denis Hagebaum-Reignier , Stephane Humbel , Nicolas Goudard

L'Actualité Chimique, 2016, L'actualité chimique, 406, pp.36-40

Article dans une revue hal-01347244v1
Deposit thumbnail

Chemodivergent Palladium-Catalyzed Processes: Role of Versatile Ligands

Paola Nava , Hervé Clavier , Yves Gimbert , Laurent Giordano , Gérard Buono et al.

ChemCatChem, 2015, 7 (23), pp.3848-3854. ⟨10.1002/cctc.201500809⟩

Article dans une revue hal-01409758v1

On the Catalysis of the Cycloisomerization of 1,6-Dienes with Tin(IV) Salts: The Important Role of a Water Molecule

Paola Nava , Yannick Carissan , Jean Drujon , Fanny Grau , Julien Godeau et al.

ChemCatChem, 2014, ChemCatChem, 6, pp.500 - 507. ⟨10.1002/cctc.201300952⟩

Article dans une revue istex hal-01347469v1

Large Hyperconjugation in Strained Systems

Julien Racine , Stéphane Humbel

Chemistry - A European Journal, 2014, Chemistry a European Journal, 20, pp.12601-12606. ⟨10.1002/chem.201403582⟩

Article dans une revue istex hal-01347475v1
Deposit thumbnail

Hyperconjugation in Carbocations, a BLW Study with DFT approximation

Zakaria Alamiddine , Stéphane Humbel

Frontiers in Chemistry, 2014, 1, pp.37. ⟨10.3389/fchem.2013.00037⟩

Article dans une revue hal-01347465v1

Successful MALDI-MS Analysis of Synthetic Polymers with Labile End-Groups: The Case of Nitroxide-Mediated Polymerization Using the MAMA-SG1 Alkoxyamine

Caroline Barrère , Christophe Chendo , Trang N. T. Phan , Valérie Monnier , Thomas Trimaille et al.

Chemistry - A European Journal, 2012, 18 (25), pp.7916-7924. ⟨10.1002/chem.201200239⟩

Article dans une revue istex hal-01460353v1
Deposit thumbnail

The Valence Bond Workshop in Paris: The Phoenix Rises from the Ashes or, Has a Love Story with MO-Based Theories Begun?

Benoît Braïda , Etienne Derat , Stéphane Humbel , Philippe C. Hiberty , Sason Shaik

ChemPhysChem, 2012, 13 (18), pp.4029--4030. ⟨10.1002/cphc.201200784⟩

Article dans une revue hal-01627702v1

Bonding of Gold with Unsaturated Species

Paola Nava , Denis Hagebaum-Reignier , Stéphane Humbel

ChemPhysChem, 2012, 13 (8), pp.2090 - 2096. ⟨10.1002/cphc.201101065⟩

Article dans une revue istex hal-01450857v1

Tandem Mass Spectrometry of Trimethylsilyl-Terminated Poly(Dimethylsiloxane) Ammonium Adducts Generated by Electrospray Ionization

Thierry Fouquet , Stéphane Humbel , Laurence Charles

Journal of The American Society for Mass Spectrometry, 2011, 22 (4), pp.649--658. ⟨10.1007/s13361-010-0073-9⟩

Article dans une revue hal-01460288v1

Dissociation characteristics of alpha,omega-dihydride poly(dimethylsiloxane) ammonium adducts generated by electrospray ionization

Thierry Fouquet , Stéphane Humbel , Laurence Charles

International Journal of Mass Spectrometry, 2011, 306 (1), pp.70--76. ⟨10.1016/j.ijms.2011.06.020⟩

Article dans une revue istex hal-01460286v1

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 et al.

Organometallics, 2011, 30 (18), pp.4814 - 4821. ⟨10.1021/om200234c⟩

Article dans une revue hal-01450817v1

InIII-Catalysed Tandem C-C and C-O Bond Formation between Phenols and Allylic Acetates

Vito Vece , Jérémy Ricci , Sophie Poulain-Martini , Paola Nava , Yannick Carissan et al.

European Journal of Organic Chemistry, 2010, 2010 (32), pp.6239 - 6248. ⟨10.1002/ejoc.201000738⟩

Article dans une revue istex hal-01447589v1

Labile ligands on some Lewis super acids: a computational study

Paola Nava , Yannick Carissan , Stéphane Humbel

Physical Chemistry Chemical Physics, 2009, 11 (33), ⟨10.1039/b907229b⟩

Article dans une revue istex hal-01447594v1

Gas-Phase Study of Phenylacetylene and Norbornadiene on a Palladium(II) Phosphinous Acid Complex: Importance of the Order of Introduction of the Organic Partners

Reddy Thota , Denis Lesage , Yves Gimbert , Laurent Giordano , Stéphane Humbel et al.

Organometallics, 2009, 28 (9), pp.2735 - 2743. ⟨10.1021/om801197n⟩

Article dans une revue hal-01658984v1

Tandem mass spectrometry of doubly charged poly(ethylene oxide) oligomers produced by electrospray ionization

Marion Girod , Yannick Carissan , Stéphane Humbel , Laurence Charles

International Journal of Mass Spectrometry, 2008, 272 (1), pp.1 - 11. ⟨10.1016/j.ijms.2007.12.010⟩

Article dans une revue istex hal-01447597v1

Hückel-Lewis Projection Method: A “Weights Watcher” for Mesomeric Structures †

Yannick Carissan , Denis Hagebaum-Reignier , Nicolas Goudard , Stéphane Humbel

Journal of Physical Chemistry A, 2008, 112 (50), pp.13256 - 13262. ⟨10.1021/jp803813e⟩

Article dans une revue istex hal-01447595v1
Deposit thumbnail

Quantifying resonance through a Lewis Valence Bond approach: application to haloallyl and carbonylcations

Mathieu Linares , Stéphane Humbel , Benoît Braïda

Faraday Discussions, 2007, 135, pp.273--283. ⟨10.1039/B605325D⟩

Article dans une revue hal-01627885v1

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 (1-3), pp.99 - 109. ⟨10.1016/j.theochem.2007.04.026⟩

Article dans une revue istex hal-01447600v1
Deposit thumbnail

Configurational Stability of Chlorophosphines

Stéphane Humbel , Cyrille Bertrand , Christophe Darcel , Christophe Bauduin , Sylvain Jugé

Inorganic Chemistry, 2003, 42, pp.420 - 427. ⟨10.1021/ic026128u⟩

Article dans une revue hal-01564785v1

trans-Bis-[(−)ephedrinate]-palladiumII complex: synthesis, molecular modeling and use as catalyst

Sandrine Bouquillon , Stéphane Humbel , Ulla Létinois-Halbes , Françoise Hénin , Jacques Muzart

Journal of Organometallic Chemistry, 2003, 687 (2), pp.377-383. ⟨10.1016/j.jorganchem.2003.08.015⟩

Article dans une revue istex hal-02540504v1

Theoretical description of [2+2] photocycloadditions: enone and ethylene as a model of the reactivity of cycloenones

C Bertrand , J Bouquant , J.P Pete , Stéphane Humbel

Journal of Molecular Structure: THEOCHEM, 2001, 538 (1-3), pp.165 - 177. ⟨10.1016/S0166-1280(00)00693-X⟩

Article dans une revue istex hal-01449384v1
Deposit thumbnail

Extinction d'une bande par distortion d'une lophine

Stéphane Humbel

Marseille (13), France. 2024

Image hal-04389983v1
Deposit thumbnail

Padlocking dihydrofurannulation for the control of small degree of helicity built on a fused-tetracyclic core

Arthur Gaucherand , Expédite Yen-Pon , Diego García-López , Jean-Valère Naubron , Sara Chentouf et al.

France. 2024

Image hal-04616840v1
Deposit thumbnail

Atropisomeric N‐Heterocyclic Carbene‐Palladium(II) Complexes: Influence of the Backbone Substitution

Yajie Chou , Mathilde Vançon , Muriel Albalat , Carla Deschodt , Paola Nava et al.

France. 2023

Image hal-04782114v1
Deposit thumbnail

Chiral Atropisomeric‐NHC Catechodithiolate Ruthenium Complexes for Z ‐Selective Asymmetric Ring‐Opening Cross Metathesis of Exo ‐Norbornenes

Jennifer Morvan , Dylan Bouëtard , Lingyu Kong , Yajie Chou , Thomas Vives et al.

France. 2023

Image hal-04062285v1
Deposit thumbnail

C2 -Symmetric atropisomeric N-heterocyclic carbene–palladium( ii ) complexes: synthesis, chiral resolution, and application in the enantioselective α-arylation of amides

Lingyu Kong , Yajie Chou , Muriel Albalat , Marion Jean , Nicolas Vanthuyne et al.

France. 2023

Image hal-04142956v1
Deposit thumbnail

Neutral aspirin inclusion in beta-cyclodextrin.

Stéphane Humbel

Drawing. France. 2022

Image hal-03684158v1
Deposit thumbnail

Electronic Density Difference in VB wave functions components.

Stéphane Humbel

Drawing. S. Humbel, France. 2022

Image hal-03684145v1
Deposit thumbnail

Lophine distortion upon complexation and UV simulated spectra

Stéphane Humbel

Drawing. France. 2022

Image hal-03684184v1
Deposit thumbnail

illustration of hal-01629621; mechanism of allenylsulfides to furan via gold catalyst

Stéphane Humbel

Computer graphics. France. 2021

Image (image de synthèse) hal-03177662v1
Deposit thumbnail

C1 ‐Symmetric Atropisomeric NHC Palladium(II) Complexes: Synthesis, Resolution and Characterization

Lingyu Kong , Yajie Chou , Marion Jean , Muriel Albalat , Nicolas Vanthuyne et al.

Photography. France. 2021

Image (photographie) hal-03338507v1
Deposit thumbnail

illustration de hal-03105659 simulated UV spectrum

Stéphane Humbel

Photography. France. 2021

Image (photographie) hal-03177656v1
Deposit thumbnail

Transition metal complexes bearing atropisomeric saturated NHC ligands

Hervé Clavier , Mariia Savchuk , Lucas Bocquin , Muriel Albalat , Marion Jean et al.

Illustration. France. 2021

Image (illustration) hal-03513576v1
Deposit thumbnail

ILLUSTRATION FOR hal-02922032

Stéphane Humbel

Drawing. France. 2020

Image (dessin) hal-02922040v1
Deposit thumbnail

illustre hal-02512291

Stéphane Humbel

Drawing. France. 2020

Image (dessin) hal-02518277v1
Deposit thumbnail

Illustration of hal02168191

Stéphane Humbel

Drawing. France. 2020

Image (dessin) hal-02922373v1
Deposit thumbnail

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 et al.

Illustration. France. 2020

Image (illustration) hal-02953894v1
Deposit thumbnail

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 et al.

Photography. France. 2019

Image (photographie) hal-02530604v1
Deposit thumbnail

illustr_ hal-01790222

Stéphane Humbel

Drawing. France. 2019

Image (dessin) medihal-02138909v1
Deposit thumbnail

Illustration-hal-01449388

Stéphane Humbel

Drawing. France. 2019

Image (dessin) medihal-02140337v1
Deposit thumbnail

Illustration de hal-01347465 : Hyperconjugation in Carbocations, a BLW Study with DFT approximation Zakaria Alamiddine, Stéphane Humbel, Frontiers in Chemistry, 2014, 1, 37.

Stéphane Humbel

Drawing. France. 2019

Image (dessin) medihal-02126032v1
Deposit thumbnail

Illustration de hal-02138836

Stéphane Humbel

Drawing. France. 2019

Image (dessin) medihal-02138864v1
Deposit thumbnail

Illustration HulIs : weight of Lewis str.

Stéphane Humbel

Computer graphics. France. 2017

Image (image de synthèse) medihal-01610757v1
Deposit thumbnail

Illustration of P. Nava et al Chemodivergent Palladium-Catalyzed Processes: Role of Versatile Ligands; ChemCatChem, 2015, 7, 3848-3854. <hal-01347478>

Stéphane Humbel

Computer graphics. France. 2017

Image (image de synthèse) medihal-01637079v1
Deposit thumbnail

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

Yannick Carissan , Denis Hagebaum-Reignier , Stéphane Humbel , Julien Racine

Illustration. France. 2017

Image (illustration) medihal-01587254v1
Deposit thumbnail

Illustration of the paper hal-01629621 Michel Rajzmann , Jianbo Wang, Stéphane Humbel〈10.1016/j.mcat.2017.09.031〉

Stéphane Humbel

Illustration. France. 2017

Image (illustration) medihal-01629634v1
Deposit thumbnail

Projector and HuLiS

Stéphane Humbel

Computer graphics. France. 2017

Image (image de synthèse) medihal-01597800v1
Deposit thumbnail

illustration of our ChloroPhosphine paper inorg chem 2003 : hal-01564785

Stéphane Humbel

Drawing. France. 2017

Image (dessin) medihal-01630108v2
Deposit thumbnail

HuLiS program logo and output

Stéphane Humbel

Computer graphics. France. 2017

Image (image de synthèse) medihal-01597807v1
Deposit thumbnail

illustration of atropisomerism in N-(2-methylphenyl)-N′-(2-methylphenyl) thiourea and its inclusion in the β-cyclodextrin hal-01635327

Stéphane Humbel

Computer graphics. France. 2017

Image (image de synthèse) medihal-01635341v1
Deposit thumbnail

HuLiS and aromaticity of Lewis structures, case of MCP

Stéphane Humbel

Computer graphics. France. 2017

Image (image de synthèse) medihal-01597808v1
Deposit thumbnail

illustration of On the Catalysis of the Cycloisomerization of 1,6-Dienes with Tin(IV) Salts: The Important Role of a Water Molecule hal-01347469

Stéphane Humbel

Drawing. France. 2017

Image (dessin) medihal-01630147v1
Deposit thumbnail

Weight Watcher et HuLiS

Stéphane Humbel

Computer graphics. France. 2017

Image (image de synthèse) medihal-01597798v1
Deposit thumbnail

Illustration of hal-01347475 CEJ 2014 : Large Hyperconjugation in Strained Systems.

Stéphane Humbel

Computer graphics. France. 2017

Image (image de synthèse) medihal-01637068v1
Deposit thumbnail

HuLiS : Simple HÜckel and LewIS embedded in the Hückel theory

Nicolas Goudard , Stéphane Humbel , Yannick Carissan , Denis Hagebaum-Reignier

Drawing. Marseille, France. 2008

Image (dessin) medihal-01587424v2

HuLiS a program to recast molecular orbital wave functions into Lewis structures

Yannick Carissan , Denis Hagebaum-Reignier , Nicolas Goudard , Stéphane Humbel

5th International Conference on Mathematical Modeling in Physical Sciences, May 2016, Athènes, Greece

Communication dans un congrès hal-01408046v1