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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
Article dans une revue
hal-04142950v1
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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
Article dans une revue
hal-04061751v1
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Transition metal complexes bearing atropisomeric saturated NHC ligands
Mariia Savchuk
,
Lucas Bocquin
,
Muriel Albalat
,
Marion Jean
,
Nicolas Vanthuyne
Article dans une revue
hal-03500191v1
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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
Article dans une revue
hal-03621175v1
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Accurate computed singlet–triplet energy differences for cobalt systems: implication for two-state reactivity
Léo Chaussy
,
Denis Hagebaum-Reignier
,
Stéphane Humbel
,
Paola Nava
Article dans une revue
hal-03836748v1
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Electronic densities and valence bond wave functions
D. Hagebaum-Reignier
,
J. Racine
,
Stéphane Humbel
Article dans une revue
hal-03678547v1
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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
Article dans une revue
hal-03105659v1
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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
Article dans une revue
hal-03338494v1
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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
Article dans une revue
hal-02442228v1
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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
Article dans une revue
hal-02922032v1
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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
Article dans une revue
hal-02512291v1
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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
Article dans une revue
hal-02953766v1
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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
Article dans une revue
hal-02168191v2
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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
Article dans une revue
hal-01790222v1
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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
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MethyleneCycloPropene: Local Vision of the first 1 B 2 excited state
Julien Racine
,
Mohamed Abdelhak Touadjine
,
Ali Rahmouni
,
Stéphane Humbel
Article dans une revue
hal-01539634v1
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Metal-catalyzed rearrangement of allenylsulfides to furan: A theoretical mechanistic approach
Michel Rajzmann
,
Jianbo Wang
,
Stéphane Humbel
Article dans une revue
hal-01629621v1
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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
Article dans une revue
hal-01635327v1
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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
Article dans une revue
hal-01469404v1
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Corrigendum: Chemodivergent Palladium-Catalyzed Processes: Role of Versatile Ligands
Paola Nava
,
Hervé Clavier
,
Laurent Giordano
,
Gerard Buono
,
Stéphane Humbel
Article dans une revue
hal-01644570v1
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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
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HuLiS, a program to teach mesomerism and more
Nicolas M Goudard
,
Denis M Hagebaum-Reignier
,
Stéphane Humbel
,
Yannick Carissan
Article dans une revue
hal-01380727v1
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Mesomerism, Ring & Substituent Effects, A Computational Chemistry Experiments
Djameleddine Khatmi
,
Yannick Carissan
,
Denis Hagebaum-Reignier
,
Nicolas Goudard
,
Stéphane Humbel
Article dans une revue
hal-01347226v1
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Recasting Wave Functions into Valence Bond Structures: A Simple Projection Method to Describe Excited States
Julien Racine
,
Denis Hagebaum-Reignier
,
Yannick Carissan
,
Stephane Humbel
Article dans une revue
hal-01306875v1
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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
Article dans une revue
hal-01449388v1
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Chemodivergent Palladium-Catalyzed Processes: Role of Versatile Ligands
Paola Nava
,
Hervé Clavier
,
Yves Gimbert
,
Laurent Giordano
,
Gérard Buono
Article dans une revue
hal-01409758v1
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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
Article dans une revue
hal-01347469v1
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Hyperconjugation in Carbocations, a BLW Study with DFT approximation
Zakaria Alamiddine
,
Stéphane Humbel
Article dans une revue
hal-01347465v1
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Large Hyperconjugation in Strained Systems
Julien Racine
,
Stéphane Humbel
Article dans une revue
hal-01347475v1
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Bonding of Gold with Unsaturated Species
Paola Nava
,
Denis Hagebaum-Reignier
,
Stéphane Humbel
Article dans une revue
hal-01450857v1
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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
Article dans une revue
hal-01627702v1
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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
Article dans une revue
hal-01460353v1
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Dissociation characteristics of alpha,omega-dihydride poly(dimethylsiloxane) ammonium adducts generated by electrospray ionization
Thierry Fouquet
,
Stéphane Humbel
,
Laurence Charles
Article dans une revue
hal-01460286v1
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Tandem Mass Spectrometry of Trimethylsilyl-Terminated Poly(Dimethylsiloxane) Ammonium Adducts Generated by Electrospray Ionization
Thierry Fouquet
,
Stéphane Humbel
,
Laurence Charles
Article dans une revue
hal-01460288v1
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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
Article dans une revue
hal-01450817v1
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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
Article dans une revue
hal-01447589v1
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Labile ligands on some Lewis super acids: a computational study
Paola Nava
,
Yannick Carissan
,
Stéphane Humbel
Article dans une revue
hal-01447594v1
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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
Article dans une revue
hal-01658984v1
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Tandem mass spectrometry of doubly charged poly(ethylene oxide) oligomers produced by electrospray ionization
Marion Girod
,
Yannick Carissan
,
Stéphane Humbel
,
Laurence Charles
Article dans une revue
hal-01447597v1
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Hückel-Lewis Projection Method: A “Weights Watcher” for Mesomeric Structures †
Yannick Carissan
,
Denis Hagebaum-Reignier
,
Nicolas Goudard
,
Stéphane Humbel
Article dans une revue
hal-01447595v1
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Quantifying resonance through a Lewis Valence Bond approach: application to haloallyl and carbonylcations
Mathieu Linares
,
Stéphane Humbel
,
Benoît Braïda
Article dans une revue
hal-01627885v1
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Hückel theory for Lewis structures: Hückel–Lewis Configuration Interaction (HL-CI)
Denis Hagebaum-Reignier
,
Raphaël Girardi
,
Yannick Carissan
,
Stéphane Humbel
Article dans une revue
hal-01447600v1
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trans-Bis-[(−)ephedrinate]-palladiumII complex: synthesis, molecular modeling and use as catalyst
Sandrine Bouquillon
,
Stéphane Humbel
,
Ulla Létinois-Halbes
,
Françoise Hénin
,
Jacques Muzart
Article dans une revue
hal-02540504v1
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Configurational Stability of Chlorophosphines
Stéphane Humbel
,
Cyrille Bertrand
,
Christophe Darcel
,
Christophe Bauduin
,
Sylvain Jugé
Article dans une revue
hal-01564785v1
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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
Article dans une revue
hal-01449384v1
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