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Deciphering the Role of Noncovalent Interactions in the Conformations of Dibenzo‐1,5‐dichalcogenocines
Robin Weiss
,
Yann Cornaton
,
Hassan Khartabil
,
Loïc Groslambert
,
Eric Hénon
Journal articles
hal-03550827v1
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Addition of Vindoline to p-Benzoquinone: Regiochemistry, Stereochemistry and Symmetry Considerations
Shamsher Ali
,
Eric Hénon
,
Ritchy Leroy
,
Georges Massiot
Journal articles
hal-03406894v1
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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 articles
hal-03114658v1
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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
Journal articles
hal-03352041v1
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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
Journal articles
hal-04143628v1
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An Atomic Decomposition Scheme of Noncovalent Interactions applied to Host-Guest Assemblies
Miguel Ponce-Vargas
,
Corentin Lefebvre
,
Jean-Charles Boisson
,
Eric Hénon
Journal articles
hal-02429354v1
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Novel approach to accurately predict bond strength and ligand lability in platinum-based anticancer drugs
Miguel Ponce-Vargas
,
Johanna Klein
,
Eric Hénon
Journal articles
hal-03372249v1
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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
Journal articles
hal-03372250v1
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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
Journal articles
hal-03377532v1
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Synthesis and biological evaluation of pyridazinone derivatives as potential anti-inflammatory agents
Chantal Barberot
,
Aurélie Moniot
,
Ingrid Allart-Simon
,
Laurette Malleret
,
Tatyana Yegorova
Journal articles
hal-02024470v1
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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
Journal articles
hal-02505160v1
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GPU accelerated implementation of NCI calculations using promolecular density
Gaëtan Rubez
,
Jean-Matthieu Etancelin
,
Xavier Vigouroux
,
Michael Krajecki
,
Jean-Charles Boisson
Journal articles
hal-01497623v1
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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
Journal articles
hal-02505102v1
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Direct minimization: Alternative to the traditional L 2 norm to derive partial atomic charges
Thomas Haschka
,
Eric Hénon
,
Christophe Jaillet
,
Laurent Martiny
,
Catherine Etchebest
Journal articles
hal-02166721v1
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Molecular properties affecting the adsorption coefficient of pesticides from various chemical families
Julie Langeron
,
Alodie Blondel
,
Stéphanie Sayen
,
Eric Hénon
,
Michel Couderchet
Journal articles
hal-02947490v1
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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
Journal articles
hal-01149579v1
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Molecular properties affecting the adsorption coefficient of phenylurea herbicides
Alodie Blondel
,
Julie Langeron
,
Stéphanie Sayen
,
Eric Hénon
,
Michel Couderchet
Journal articles
hal-02945265v1
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KiSThelP: A program to predict thermodynamic properties and rate constants from quantum chemistry results†
Sébastien Canneaux
,
Frédéric Bohr
,
Eric Henon
Journal articles
hal-03377096v1
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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
Journal articles
hal-01016847v1
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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
Journal articles
hal-00760143v1
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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
Journal articles
hal-01016865v1
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The stimulating adventure of KRN 7000.
Aline Banchet-Cadeddu
,
Eric Hénon
,
Manuel Dauchez
,
Jean-Hugues Renault
,
Fanny Monneaux
Journal articles
hal-00579731v1
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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
Journal articles
hal-00579736v1
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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
Journal articles
hal-01018325v1
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Synthesis of chiral β-aminoalcohol palladium complexes exhibiting cytotoxic properties
Fabien Accadbled
,
Bernard Tinant
,
Eric Hénon
,
Danièle Carrez
,
Alain Croisy
Journal articles
hal-02540474v1
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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
Journal articles
hal-02545915v1
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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
Journal articles
hal-00421335v1
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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
Journal articles
hal-00110315v1
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Novel seco-dibenzopyrrocoline alkaloid from Cryptocarya oubachensis
Alix Toribio
,
Aurélie Bonfils
,
Eldra Delannay
,
Elise Prost
,
Dominique Harakat
Journal articles
hal-00134116v1
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Tunneling in the reaction of acetone with OH
Astrid Bergeat
,
Françoise Caralp
,
Wendell Forst
,
Eric Hénon
,
Frederic Bohr
Journal articles
hal-00109340v1
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