Eric Hénon

Documents

Publications

	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
	Deciphering the Role of Noncovalent Interactions in the Conformations of Dibenzo‐1,5‐dichalcogenocines Robin Weiss , Yann Cornaton , Hassan Khartabil , Loïc Groslambert , Eric Hénon 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
	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
	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 Audonnet RSC Medicinal Chemistry, 2021, 12, pp.584 - 592. ⟨10.1039/d0md00423e⟩ Article dans une revue hal-03352041v1
	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
	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 Gérard Organic & Biomolecular Chemistry, 2020, 18 (35), pp.6840-6848. ⟨10.1039/D0OB01511C⟩ Article dans une revue hal-03372250v1
	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 Piquemal 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 Yegorova European Journal of Medicinal Chemistry, 2018, 146, pp.139-146. ⟨10.1016/j.ejmech.2018.01.035⟩ Article dans une revue hal-02024470v1
	GPU accelerated implementation of NCI calculations using promolecular density Gaëtan Rubez , Jean-Matthieu Etancelin , Xavier Vigouroux , Michael Krajecki , Jean-Charles Boisson 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 Henon Physical Chemistry Chemical Physics, 2017, 19 (46), pp.31177-31185. ⟨10.1039/C7CP05038K⟩ Article dans une revue hal-02505102v1
	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-García Physical Chemistry Chemical Physics, 2017, 19 (27), pp.17928-17936. ⟨10.1039/C7CP02110K⟩ Article dans une revue hal-02505160v1
	Direct minimization: Alternative to the traditional L 2 norm to derive partial atomic charges Thomas Haschka , Eric Hénon , Christophe Jaillet , Laurent Martiny , Catherine Etchebest 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 Couderchet Environmental Science and Pollution Research, 2014, 21 (16), pp.9727-9741. ⟨10.1007/s11356-014-2916-6⟩ Article dans une revue hal-02947490v1
	Ring dihedral principal component analysis of furanose conformation Coiffier Claire , Barberot Chantal , Nuzillard Jean-Marc , Goekjian Peter , Henon Eric Journal of Carbohydrate Chemistry, 2014, 40, pp.378-400 Article dans une revue hal-01149579v1
	Molecular properties affecting the adsorption coefficient of phenylurea herbicides Alodie Blondel , Julie Langeron , Stéphanie Sayen , Eric Hénon , Michel Couderchet Environmental Science and Pollution Research, 2013, 20 (9), pp.6266-6281. ⟨10.1007/s11356-013-1654-5⟩ Article dans une revue hal-02945265v1
	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 hal-03377096v1
	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 Hénon Tetrahedron, 2012, 68 (43), pp.8945-8967. ⟨10.1016/j.tet.2012.07.096⟩ Article dans une revue hal-01016865v1
	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
	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 Martinez Central European Journal of Chemistry, 2012, 10 (4), pp.1119-1136. ⟨10.2478/s11532-012-0015-4⟩ Article dans une revue hal-01016847v1
	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 Martinez Canadian Journal of Chemistry, 2011, 89 (10), pp.1207-1221. ⟨10.1139/v11-075⟩ Article dans une revue hal-01018325v1
	The stimulating adventure of KRN 7000. Aline Banchet-Cadeddu , Eric Hénon , Manuel Dauchez , Jean-Hugues Renault , Fanny Monneaux Organic & Biomolecular Chemistry, 2011, 9, pp.3080-3104. ⟨10.1039/c0ob00975j⟩ Article dans une revue hal-00579731v1
	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 Monneaux Bioorganic and Medicinal Chemistry Letters, 2011, 21 (8), pp.2510-2514. ⟨10.1016/j.bmcl.2011.02.044⟩ Article dans une revue hal-00579736v1
	Synthesis of chiral β-aminoalcohol palladium complexes exhibiting cytotoxic properties Fabien Accadbled , Bernard Tinant , Eric Hénon , Danièle Carrez , Alain Croisy Dalton Transactions, 2010, 39 (38), pp.8982. ⟨10.1039/c0dt00328j⟩ Article dans une revue 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 Rogez Inorganic Chemistry Communications, 2009, 12 (1), pp.17-20. ⟨10.1016/j.inoche.2008.10.020⟩ Article dans une revue hal-02545915v1
	Synthesis, characterization and dioxygen reactivity of copper(I) complexes with glycoligands Ziad Damaj , Federico Cisnetti, , Laurent Dupont , Eric Henon , Clotilde Policar 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 hal-00110315v1
	Novel seco-dibenzopyrrocoline alkaloid from Cryptocarya oubachensis Alix Toribio , Aurélie Bonfils , Eldra Delannay , Elise Prost , Dominique Harakat Organic Letters, 2006, 8, pp.3825-3828. ⟨10.1021/ol061435f⟩ Article dans une revue hal-00134116v1
	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 hal-00109340v1

	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 Hénon 4th Grid'5000 Spring School, Apr 2011, Reims, France. paper #7 Communication dans un congrès hal-00587418v1

Eric Hénon

Publications

Toward Efficient and Stereoselective Aromatic and Dearomative Cope Rearrangements: Experimental and Theoretical Investigations of α‐Allyl‐α’‐Aromatic γ‐Lactone Derivatives.

Deciphering the Role of Noncovalent Interactions in the Conformations of Dibenzo‐1,5‐dichalcogenocines

Addition of Vindoline to p-Benzoquinone: Regiochemistry, Stereochemistry and Symmetry Considerations

A Step toward the Quantification of Noncovalent Interactions in Large Biological Systems: The Independent Gradient Model-Extremely Localized Molecular Orbital Approach

Pyridazinone derivatives as potential anti-inflammatory agents: synthesis and biological evaluation as PDE4 inhibitors

Novel approach to accurately predict bond strength and ligand lability in platinum-based anticancer drugs

Mechanistic insights into Smiles rearrangement. Focus on π–π stacking interactions along the radical cascade

An Atomic Decomposition Scheme of Noncovalent Interactions applied to Host-Guest Assemblies

The Independent Gradient Model: a new approach for probing strong and weak interactions in molecules from wave function calculations

Synthesis and biological evaluation of pyridazinone derivatives as potential anti-inflammatory agents

GPU accelerated implementation of NCI calculations using promolecular density

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

Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron density

Direct minimization: Alternative to the traditional L 2 norm to derive partial atomic charges

Molecular properties affecting the adsorption coefficient of pesticides from various chemical families

Ring dihedral principal component analysis of furanose conformation

Molecular properties affecting the adsorption coefficient of phenylurea herbicides

KiSThelP: A program to predict thermodynamic properties and rate constants from quantum chemistry results†

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

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

New serinolic amino-s-triazines by chemoselective amination of cyanuric chloride and their (pro)diastereomerism in restricted rotational phenomena

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

The stimulating adventure of KRN 7000.

Use of the NEO strategy (Nucleophilic addition/Epoxide Opening) for the synthesis of a new C-galactoside ester analogue of KRN 7000.

Synthesis of chiral β-aminoalcohol palladium complexes exhibiting cytotoxic properties

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

Synthesis, characterization and dioxygen reactivity of copper(I) complexes with glycoligands

Accommodation of ethanol, acetone and benzaldehyde by the liquid-vapor interface of water: A molecular dynamics study

Novel seco-dibenzopyrrocoline alkaloid from Cryptocarya oubachensis

Tunneling in the reaction of acetone with OH

Deploying a fault-tolerant computing middleware over Grid'5000: performance analysis of CONFIIT and its integration with a quantum molecular docking application