Eric Hénon

Publications

Article dans une revue (36)

A visualizable and widely applicable steric repulsion descriptor for guiding experimental chemistry Guillaume Hénon Just,Corentin Lefebvre,Akilan Rajamani,Hassan Khartabil,Julien Pilméet al. Chemical Science, 2026, ⟨10.1039/d5sc07952g⟩ Article dans une revue hal-05495573v1
A 30‐Year Journey Towards an Accelerated Scheme for Visualizing ELF Basins in Molecules H. Khartabil,A. Rajamani,Corentin Lefebvre,J. Pilmé,E. Hénon Journal of Computational Chemistry, 2025, 46 (16), ⟨10.1002/jcc.70146⟩ Article dans une revue hal-05111048v1
Unlocking the Aromatic Cope Rearrangement with Gold(I) Catalysis Pierre Locquet,Akilan Rajamani,Rémi Pereira,Fabienne Grellepois,Jean-Marc Weibelet al. ACS Catalysis, 2024, 14 (24), pp.18884. ⟨10.1021/acscatal.4c06662⟩ Article dans une revue hal-04764412v2
Toward Efficient and Stereoselective Aromatic and Dearomative Cope Rearrangements: Experimental and Theoretical Investigations of α‐Allyl‐α’‐Aromatic γ‐Lactone Derivatives. Morgane Mando,Fabienne Grellepois,Aurélien Blanc,Eric Hénon,Emmanuel Riguet Chemistry - A European Journal, 2024, ⟨10.1002/chem.202304138⟩ Article dans une revue hal-04495912v1
New Water‐Soluble Au(III) Complexes with Xyloside‐Based Ligands: Synthesis, Structural Characterization, Solution Studies and Catalytic Evaluation Laura Pascual,Stéphanie Boudesocque,Laurent Dupont,Eric Hénon,Aminou Mohamadouet al. European Journal of Inorganic Chemistry, 2023, 26 (9), ⟨10.1002/ejic.202200581⟩ Article dans une revue (data paper) hal-04155829v1
Deciphering the Role of Noncovalent Interactions in the Conformations of Dibenzo‐1,5‐dichalcogenocines Robin Weiss,Yann Cornaton,Hassan Khartabil,Loïc Groslambert,Eric Hénonet al. ChemPlusChem, 2022, 87, pp.e202100518. ⟨10.1002/cplu.202100518⟩ Article dans une revue hal-03550827v1
Addition of Vindoline to p-Benzoquinone: Regiochemistry, Stereochemistry and Symmetry Considerations Shamsher Ali,Eric Hénon,Ritchy Leroy,Georges Massiot Molecules, 2021, 26 (21), pp.6395. ⟨10.3390/molecules26216395⟩ Article dans une revue hal-03406894v1
Pyridazinone derivatives as potential anti-inflammatory agents: synthesis and biological evaluation as PDE4 inhibitors Ingrid Allart-Simon,Aurélie Moniot,Nicolo Bisi,Miguel Ponce-Vargas,Sandra Audonnetet al. RSC Medicinal Chemistry, 2021, 12, pp.584 - 592. ⟨10.1039/d0md00423e⟩ Article dans une revue hal-03352041v1
A Step toward the Quantification of Noncovalent Interactions in Large Biological Systems: The Independent Gradient Model-Extremely Localized Molecular Orbital Approach Erna Wieduwilt,Jean-Charles Boisson,Giancarlo Terraneo,Eric Hénon,Alessandro Genoni Journal of Chemical Information and Modeling, 2021, 61 (2), pp.795-809. ⟨10.1021/acs.jcim.0c01188⟩ Article dans une revue hal-03114658v1
A New Way for Probing Bond Strength J. Klein,H. Khartabil,Jean-Charles Boisson,J. Contreras-Garcia,Jean-Philip Piquemalet al. Journal of Physical Chemistry A, 2020, 124 (9), pp.1850-1860. ⟨10.1021/acs.jpca.9b09845⟩ Article dans une revue hal-02377737v1
Mechanistic insights into Smiles rearrangement. Focus on π–π stacking interactions along the radical cascade Hassan Khartabil,Ludovic Doudet,Ingrid Allart-Simon,Miguel Ponce-Vargas,Stéphane Gérardet al. Organic & Biomolecular Chemistry, 2020, 18 (35), pp.6840-6848. ⟨10.1039/D0OB01511C⟩ Article dans une revue hal-03372250v1
Novel approach to accurately predict bond strength and ligand lability in platinum-based anticancer drugs Miguel Ponce-Vargas,Johanna Klein,Eric Hénon Dalton Transactions, 2020, 49 (36), pp.12632-12642. ⟨10.1039/D0DT02552F⟩ Article dans une revue hal-03372249v1
An Atomic Decomposition Scheme of Noncovalent Interactions applied to Host-Guest Assemblies Miguel Ponce-Vargas,Corentin Lefebvre,Jean-Charles Boisson,Eric Hénon Journal of Chemical Information and Modeling, 2020, 60 (1), pp.268-278. ⟨10.1021/acs.jcim.9b01016⟩ Article dans une revue hal-02429354v1
The Independent Gradient Model: a new approach for probing strong and weak interactions in molecules from wave function calculations Corentin Lefebvre,Hassan Khartabil,Jean-Charles Boisson,Julia Contreras-García,Jean-Philip Piquemalet al. ChemPhysChem, 2018, 19 (6), pp.724-735. ⟨10.1002/cphc.201701325⟩ Article dans une revue hal-03377532v1
Synthesis and biological evaluation of pyridazinone derivatives as potential anti-inflammatory agents Chantal Barberot,Aurélie Moniot,Ingrid Allart-Simon,Laurette Malleret,Tatyana Yegorovaet al. European Journal of Medicinal Chemistry, 2018, 146, pp.139-146. ⟨10.1016/j.ejmech.2018.01.035⟩ Article dans une revue hal-02024470v1
Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron density Corentin Lefebvre,Gaëtan Rubez,Hassan Khartabil,Jean-Charles Boisson,Julia Contreras-Garcíaet al. Physical Chemistry Chemical Physics, 2017, 19 (27), pp.17928-17936. ⟨10.1039/C7CP02110K⟩ Article dans une revue hal-02505160v1
GPU accelerated implementation of NCI calculations using promolecular density Gaëtan Rubez,Jean-Matthieu Etancelin,Xavier Vigouroux,Michael Krajecki,Jean-Charles Boissonet al. Journal of Computational Chemistry, 2017, 38 (14), pp.1071-1083. ⟨10.1002/jcc.24786⟩ Article dans une revue hal-01497623v1
Development of the first model of a phosphorylated, ATP/Mg 2+ -containing B-Raf monomer by molecular dynamics simulations: a tool for structure-based design Viola Previtali,Cristina Trujillo,Jean-Charles Boisson,Hassan Khartabil,Eric Henonet al. Physical Chemistry Chemical Physics, 2017, 19 (46), pp.31177-31185. ⟨10.1039/C7CP05038K⟩ Article dans une revue hal-02505102v1
Direct minimization: Alternative to the traditional L 2 norm to derive partial atomic charges Thomas Haschka,Eric Hénon,Christophe Jaillet,Laurent Martiny,Catherine Etchebestet al. Computational and Theoretical Chemistry, 2015, 1074, pp.50-57. ⟨10.1016/j.comptc.2015.10.008⟩ Article dans une revue hal-02166721v1
Molecular properties affecting the adsorption coefficient of pesticides from various chemical families Julie Langeron,Alodie Blondel,Stéphanie Sayen,Eric Hénon,Michel Couderchetet al. Environmental Science and Pollution Research, 2014, 21 (16), pp.9727-9741. ⟨10.1007/s11356-014-2916-6⟩ Article dans une revue hal-02947490v1
Switching Invariant Natural Killer T (iNKT) Cell Response from Anticancerous to Anti-Inflammatory Effect: Molecular Bases Xavier Laurent,Benjamin Bertin,Nicolas Renault,Amaury Farce,Silvia Specaet al. Journal of Medicinal Chemistry, 2014, 57 (13), pp.5489-5508. ⟨10.1021/jm4010863⟩ Article dans une revue hal-05381388v1
KiSThelP: A program to predict thermodynamic properties and rate constants from quantum chemistry results† Sébastien Canneaux,Frédéric Bohr,Eric Henon Journal of Computational Chemistry, 2013, 35 (1), pp.82 - 93. ⟨10.1002/jcc.23470⟩ Article dans une revue istex hal-03377096v1
Molecular properties affecting the adsorption coefficient of phenylurea herbicides Alodie Blondel,Julie Langeron,Stéphanie Sayen,Eric Hénon,Michel Couderchetet al. Environmental Science and Pollution Research, 2013, 20 (9), pp.6266-6281. ⟨10.1007/s11356-013-1654-5⟩ Article dans une revue istex hal-02945265v1
Bientôt dans votre amphithéâtre, la chimie fera son cinéma ! De la bonne utilisation des ressources informatiques pour l'enseignement : visualisation moléculaire, illustration de processus chimiques et de modèles physiques Matthieu Chavent,Marc Baaden,Éric Hénon,Serge Antonczak L'Actualité Chimique, 2012, 363, pp.42-46 Article dans une revue hal-00760143v1
Design, synthesis and structure of new dendritic melamines. First use of a tandem C-2-substituted serinol--O,O-masked 4-piperidone as a peripheral unit in iterative synthesis Flavia Popa,Pedro Lameiras,Oana Moldovan,Maria Tomoaia-Cotisel,Eric Hénonet al. Tetrahedron, 2012, 68 (43), pp.8945-8967. ⟨10.1016/j.tet.2012.07.096⟩ Article dans une revue istex hal-01016865v1
New serinolic amino-s-triazines by chemoselective amination of cyanuric chloride and their (pro)diastereomerism in restricted rotational phenomena Oana Moldovan,Pedro Lameiras,Eric Hénon,Flavia Popa,Agathe Martinezet al. Central European Journal of Chemistry, 2012, 10 (4), pp.1119-1136. ⟨10.2478/s11532-012-0015-4⟩ Article dans une revue hal-01016847v1
Use of the NEO strategy (Nucleophilic addition/Epoxide Opening) for the synthesis of a new C-galactoside ester analogue of KRN 7000. Aline Banchet-Cadeddu,Agathe Martinez,Stéphane Guillarme,Véronique Parietti,Fanny Monneauxet al. Bioorganic and Medicinal Chemistry Letters, 2011, 21 (8), pp.2510-2514. ⟨10.1016/j.bmcl.2011.02.044⟩ Article dans une revue istex hal-00579736v1
The stimulating adventure of KRN 7000. Aline Banchet-Cadeddu,Eric Hénon,Manuel Dauchez,Jean-Hugues Renault,Fanny Monneauxet al. Organic & Biomolecular Chemistry, 2011, 9, pp.3080-3104. ⟨10.1039/c0ob00975j⟩ Article dans une revue hal-00579731v1
Amino-s-triazines -- Synthesis and stereochemistry of restricted rotational phenomena -- First use of a C-2-substituted serinol in tandem with masked 4-piperidone for selective amination of cyanuric chloride Flavia Popa,Pedro Lameiras,Eric Hénon,Oana Moldovan,Agathe Martinezet al. Canadian Journal of Chemistry, 2011, 89 (10), pp.1207-1221. ⟨10.1139/v11-075⟩ Article dans une revue hal-01018325v1
Synthesis of chiral β-aminoalcohol palladium complexes exhibiting cytotoxic properties Fabien Accadbled,Bernard Tinant,Eric Hénon,Danièle Carrez,Alain Croisyet al. Dalton Transactions, 2010, 39 (38), pp.8982. ⟨10.1039/c0dt00328j⟩ Article dans une revue istex hal-02540474v1
Co(II)(l-proline)2(H2O)2 solid complex: Characterization, magnetic properties, and DFT computations. Preliminary studies of its use as oxygen scavenger in packaging films Ziad Damaj,Aude Naveau,Laurent Dupont,Eric Henon,Guillaume Rogezet al. Inorganic Chemistry Communications, 2009, 12 (1), pp.17-20. ⟨10.1016/j.inoche.2008.10.020⟩ Article dans une revue istex hal-02545915v1
Synthesis, characterization and dioxygen reactivity of copper(I) complexes with glycoligands Ziad Damaj,Federico Cisnetti,,Laurent Dupont,Eric Henon,Clotilde Policaret al. Dalton Transactions, 2008, pp.3235-3245 Article dans une revue hal-00421335v1
Accommodation of ethanol, acetone and benzaldehyde by the liquid-vapor interface of water: A molecular dynamics study Frederic Bohr,Eric Hénon,Jean-Christophe Soetens,Sébastien Canneaux Chemical Physics, 2006, 327, pp.512-517. ⟨10.1016/j.chemphys.2006.05.033⟩ Article dans une revue istex hal-00110315v1
Tunneling in the reaction of acetone with OH Astrid Bergeat,Françoise Caralp,Wendell Forst,Eric Hénon,Frederic Bohr Physical Chemistry Chemical Physics, 2006, 8, pp.1072-1078. ⟨10.1039/b515118j⟩ Article dans une revue istex hal-00109340v1
Novel seco-dibenzopyrrocoline alkaloid from Cryptocarya oubachensis Alix Toribio,Aurélie Bonfils,Eldra Delannay,Elise Prost,Dominique Harakatet al. Organic Letters, 2006, 8, pp.3825-3828. ⟨10.1021/ol061435f⟩ Article dans une revue hal-00134116v1
Reaction and complex formation between OH radical and acetone Gábor Vasvári,István Szilágyi,Ákos Bencsura,Sándor Dóbe´,Tibor Be´rceset al. Physical Chemistry Chemical Physics, 2001, 3 (4), pp.551-555. ⟨10.1039/B009601F⟩ Article dans une revue hal-03377098v1

Communication dans un congrès (1)

Deploying a fault-tolerant computing middleware over Grid'5000: performance analysis of CONFIIT and its integration with a quantum molecular docking application Luiz Angelo Steffenel,Jean-Charles Boisson,Chantal Barberot,Stéphane Gérard,Eric Hénonet al. 4th Grid'5000 Spring School, Apr 2011, Reims, France. paper #7 Communication dans un congrès hal-00587418v1

Chapitre d'ouvrage (1)

Ring dihedral principal component analysis of furanose conformation Claire Coiffier,Chantal Barberot,Jean-Marc Nuzillard,Peter Goekjian,Eric Hénonet al. Carbohydrate Chemistry, 40, Royal Society of Chemistry, pp.378-400, 2014, Carbohydrate Chemistry, 978-1-84973-965-8. ⟨10.1039/9781849739986-00378⟩ Chapitre d'ouvrage istex hal-01149579v1

Pré-publication, Document de travail (1)

Dissecting Reaction Paths with the Independent Gradient Model: The Case of a Key Reductive Elimination Step at Cobalt(IV) Sara Figueirêdo de Alcântara Morais,,Lucas Loir-Mongazon,Cornaton Yann,Eric Hénon,Jean-Pierre Djukic 2025 Pré-publication, Document de travail (preprint/prepublication) hal-05375114v1