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Interactions of copper (II) and zinc (II) with chlorophyll: insights from Density Functional Theory Studies

Hélène Gérard , Rim Bechaieb , Arij B Fredj , Azaiez B Akacha
New Journal of Chemistry, 2016, ⟨10.1039/C5NJ03244J⟩
Article dans une revue hal-01295216v1
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A computational study of the effects of ancillary ligands on copper(I)–ethylene interaction

Stéphanie Halbert , Hélène Gérard
New Journal of Chemistry, 2015, 39 (7), pp.5410-5419. ⟨10.1039/C5NJ00546A⟩
Article dans une revue hal-01176228v1

Copper-Catalyzed Asymmetric Conjugate Addition of Dimethyl-zinc to Acyl-N-methylimidazole Michael Acceptors: Scope,Limitations and Iterative Reactions

Sammy Drissi Amraoui , Thibault E. Schmid , Jimmy Lauberteaux , Christophe Crevisy , Olivier Baslé , et al.
Advanced Synthesis and Catalysis, 2016, 358 (15), pp.2519-2540. ⟨10.1002/adsc.201600458⟩
Article dans une revue istex hal-01355326v1

Role of Oleylamine Revisited: An Original Disproportionation Route to Monodispersed Cobalt and Nickel Nanocrystals

Anthony Vivien , Maya Guillaumont , Lynda Meziane , Caroline Salzemann , Corinne Aubert , et al.
Chemistry of Materials, 2019, 31 (3), pp.960-968. ⟨10.1021/acs.chemmater.8b04435⟩
Article dans une revue hal-02128663v1
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Selective Formation of Epoxylimonene Catalyzed by Phosphonyl/Arsonyl Derivatives of Trivacant Polyoxotungstates at Low Temperature

Ourania Makrygenni , Louise Vanmairis , Sabrina Taourit , Franck Launay , Alain Shum Cheong Sing , et al.
European Journal of Inorganic Chemistry, 2019, 2020 (7), pp.605-612. ⟨10.1002/ejic.201901152⟩
Article dans une revue hal-02426557v1

1,3‐Dipolar Cycloadditions of Cyanoheteroarenes with non‐stabilized Azomethine Ylides : C≡N vs Aromatic C=C Reactivity

Batoul Rkein , Maxime Manneveau , Hélène Gérard , Julien Legros , Isabelle Chataigner
ChemistrySelect, 2022, 7 (37), pp.e202203628. ⟨10.1002/slct.202203628⟩
Article dans une revue hal-03957545v1

Selectivities of multicomponent [4 + 2]/[3 + 2] cycloadditions of 3-nitroindole with substituted alkenes: a DFT analysis.

Hélène Gérard , Isabelle Chataigner
Journal of Organic Chemistry, 2013, 78 (18), pp.9233-9242. ⟨10.1021/jo401482b⟩
Article dans une revue hal-00996917v1

Coordinated carbenes from electron-rich olefins on RuHCl(PiPr3)2

J. N. Coalter , Jean-Claude Bollinger , J. C. Huffman , U. Werner-Zwanziger , Kenneth G. Caulton , et al.
New Journal of Chemistry, 2000, 24, pp.9-26. ⟨10.1039/a907624g⟩
Article dans une revue hal-00429110v1

Cu(I)-Assisted Addition of Li- or Zn-Organometallics to Carbonyl Compounds: Learning from Analogies and Differences Between Intermediates and Transition States

Stéphanie Halbert , Hélène Gérard
Topics in Catalysis, 2022, 65 (1-4), pp.481-492. ⟨10.1007/s11244-021-01551-9⟩
Article dans une revue hal-03957568v1

Interactions of copper( II ) and zinc( I ) with chlorophyll: insights from density functional theory studies

Rim Bechaieb , Arij Fredj , Azaiez Akacha , Hélène Gérard
New Journal of Chemistry, 2016, 40 (5), pp.4543-4549. ⟨10.1039/C5NJ03244J⟩
Article dans une revue hal-02129245v1

Catalytic enantioselective nucleophilic addition of organolithium derivatives: pitfalls and opportunities

Anne Harrison-Marchand , Hélène Gérard , Jacques Maddaluno
New Journal of Chemistry, 2012, 36 (12), pp.2441-2446. ⟨10.1039/C2NJ40474E⟩
Article dans une revue hal-01016523v1

18-electron Os(X)(CHR)(Cl)(CO)L2 (X = H, Cl): not octahedral and metastable?

Hélène Gérard , Eric Clot , Odile Eisenstein
New Journal of Chemistry, 1999, 23, pp.495-498. ⟨10.1039/a809997i⟩
Article dans une revue istex hal-00429114v1

Dearomatization of 3‐Nitroindoles with Highly γ‐Functionalized Allenoates in Formal (3+2) Cycloadditions

Léo Birbaum , Laurent Gillard , Hélène Gérard , Hassan Oulyadi , Guillaume Vincent , et al.
Chemistry - A European Journal, 2019, 25 (60), pp.13688-13693. ⟨10.1002/chem.201903455⟩
Article dans une revue hal-02330833v1
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Ligand effects on coordination properties of organolithium compounds: insights from computational experiments on a "weakened" Li+

Hélène Gérard , Patrick Chaquin , Jacques Maddaluno
Journal of Molecular Graphics and Modelling, 2019, 26 (3), pp.59. ⟨10.1007/s00894-020-4302-2⟩
Article dans une revue hal-03439676v1

Dynamic Kinetic Resolution Processes Based on the Switchable Configurational Instability of Allenyl Copper Reagents

Chayma Ben Maamer , Pierre Mpawenayo , Baptiste Lecachey , Nacira Alouane , Pierre Mangeney , et al.
Organic Letters, 2021, 23 (16), pp.6305-6310. ⟨10.1021/acs.orglett.1c02095⟩
Article dans une revue hal-03348774v1
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Hcp cobalt nanocrystals with high magnetic anisotropy prepared by easy one-pot synthesis

L. Meziane , C. Salzemann , Corinne Aubert , H. Gérard , C. Petit , et al.
Nanoscale, 2016, 8, pp.18640-18645 ⟨10.1039/C6NR05792F⟩
Article dans une revue hal-01393430v1

Diastereodivergent Behavior of Alkyl- versus Cyano- Allenylcuprates towards Aldehydes: a Key Role for Lithium

Emmanuel Vrancken , Hélène Gérard , David Linder , Ouizem Souad , Nacira Alouane , et al.
Journal of the American Chemical Society, 2011, ⟨10.1021/ja200702a⟩
Article dans une revue hal-00605979v1
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Intertwined Analytical, Experimental and Theoretical Studies on the Formation and Structure of a Copper Dienolate

Baptiste Lecachey , Laetitia Palais , Benoît Courcy , Samira Bouauli , Muriel Durandetti , et al.
Chemistry - A European Journal, 2021, 27 (29), pp.7942 - 7950. ⟨10.1002/chem.202100596⟩
Article dans une revue hal-03440070v1

Experimental and Theoretical Study of the Regiospecific Coordination of RuII and OsII Fragments on the Lacunary Polyoxometalate [alpha -PW11O39]7-.

Danielle Laurencin , Richard Villanneau , Hélène Gérard , Anna Proust
Journal of Physical Chemistry A, 2006, 110, pp.6345-6355. ⟨10.1021/jp056826a⟩
Article dans une revue istex hal-00358150v1

Fate of CH2=CHE (E = H, OMe) in the presence of unsaturated Ru(X)(H)L2q+ (X = Cl, q=0; X = CO, q=1): Highly sensitive to X and E

Hélène Gérard , Eric Clot , Claude Giessner-Prettre , Kenneth G. Caulton , Ernest R. Davidson , et al.
Organometallics, 2000, 19, pp.2291-2298. ⟨10.1021/om991002z⟩
Article dans une revue istex hal-00429108v1
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DFT and TD-DFT Studies of Mg-Substitution in Chlorophyll by Cr(II), Fe(II) and Ni(II)

Rim Bechaieb , Zohra B Lakhdar , Hélène Gérard
Chemistry Africa, 2018, 1 (1-2), pp.79-86. ⟨10.1007/s42250-018-0003-y⟩
Article dans une revue hal-02022656v1

Structure, Bonding, and Reactivity of Organoaluminum Molecular Species: A Computational Perspective

Odile Eisenstein , Hélène Gérard
Patai's Chemistry of Functional Groups, willey, pp.1-32, 2017, 9780470682531. ⟨10.1002/9780470682531.pat0843⟩
Chapitre d'ouvrage hal-01567052v1

Triggering Electron Transfer in Co(I) Dimers: Computational Evidences for a Reversible Disproportionation Mechanism

Maya Guillaumont , Isabelle Fourré , Julien Pilmé , Stéphanie Halbert , Hélène Gérard
ChemPhysChem, 2021, 22 (8), pp.788-795. ⟨10.1002/cphc.202000965⟩
Article dans une revue hal-03957603v1

Un laboratoire pédagogique à grande échelle : les ateliers bidisciplinaires

Fabrice Chemla , Franck Fuster , Hélène Gérard , Alexis Markovits , Ahmed Naitabdi , et al.
L'Actualité Chimique, 2018, 433, pp.41-44
Article dans une revue hal-03956591v1

Mechanism of Enolate Transfer between Si and Cu

Samira Bouaouli , Kim Spielmann , Emmanuel Vrancken , Jean-Marc Campagne , Hélène Gérard
Chemistry - A European Journal, 2018, 24 (25), pp.6617 - 6624. ⟨10.1002/chem.201800099⟩
Article dans une revue hal-01797621v1

First-Principles Molecular Dynamics Evaluation of Thermal Effects on the NMR1JLi,C Spin–Spin Coupling

Aurélien De la lande , Catherine Fressigné , Hélène Gérard , Jacques Maddaluno , Olivier Parisel
Chemistry - A European Journal, 2007, 13 (12), pp.3459-3469. ⟨10.1002/chem.200601108⟩
Article dans une revue istex hal-02357635v1
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Asymmetric Sequential Cu-Catalyzed 1,6/1,4-Conjugate Additions of Hard Nucleophiles to Cyclic Dienones: Determination of Absolute Configurations and Origins of Enantioselectivity

Charlie Blons , Marie S. T. Morin , Thibault E. Schmid , Thomas Vives , Sophie Colombel-Rouen , et al.
Chemistry - A European Journal, 2017, 23 (31), pp.7515-7525. ⟨10.1002/chem.201606034⟩
Article dans une revue hal-01533324v1
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Development of a Radical Silylzincation of (Het)Aryl-Substituted Alkynes and Computational Insights into the Origin of the trans-Stereoselectivity

Elise Romain , Karen de La Vega-Hernández , Frédéric Guégan , Juan Sanz García , Carolin Fopp , et al.
Advanced Synthesis and Catalysis, 2021, 363 (10), pp.2634-2647. ⟨10.1002/adsc.202001566⟩
Article dans une revue hal-03236531v1

What can be learnt on biologically relevant systems from the topological analysis of the electron localization function?

J.-P. Piquemal , J. Pilmé , O. Parisel , H. Gerard , I. Fourré , et al.
International Journal of Quantum Chemistry, 2008, 108 (11), pp.1951-1969. ⟨10.1002/qua.21711⟩
Article dans une revue hal-02126817v1

L‘ = CO vs Cl- Transposition: Remarkable Consequences for the Product of (L‘)−Ru(L)2-(H) and Vinyl Ether

Dejian Huang , Hélène Gérard , Eric Clot , Victor Young Jr. , William E. Streib , et al.
Organometallics, 1999, 18, pp.5441-5443. ⟨10.1021/om990649g⟩
Article dans une revue istex hal-00429111v1