
Jean-François Paul
134
Documents
Publications
Publications
Numerical study of the mechanical properties of Mg2SiO4 glasses10th International Conference on Multiscale Materials Modeling (MMM10), Oct 2022, Baltimore, United States
Communication dans un congrès
hal-04095758
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ToF-SIMS and XPS characterizations of fission product simulant (I, Cs) deposits after thermal treatment simulating late phase conditions of a nuclear power plant severe accidentEuropean Association on Applications of Surface and Interface Analysis - ECASIA 2022, May 2022, Limerick, Ireland
Communication dans un congrès
hal-04291756
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Capture de l’iode gazeux dans les matériaux de type MOF de la famille des UiO-n2èmes Rencontres Rayonnement et Radio-Chimie (R3C), Institut de Chimie de Nice (ICN), Aug 2022, Nice, France
Communication dans un congrès
hal-04287104
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Numerical study of the mechanical properties of Mg2SiO4 glasses23rd International Mineralogical Association General Meeting (IMA 2022), Jul 2022, Lyon, France
Communication dans un congrès
hal-04094900
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Surface enrichment of Fe species on LaFeO3 model catalysts for CO Oxidation Reaction by Combination of Surface Science TechniquesLEIS Users meeting, University of Twente, Jun 2019, Enschede, Netherlands
Communication dans un congrès
hal-03514784
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Highlighting the role of La-deficiency in LaFeO3 model catalyst for CO oxidation reaction by combination of surface analysis techniquesEuropean Conference on Applications of Surface and Interface Analysis ECASIA 2019, Sep 2019, Dresden, Germany
Communication dans un congrès
hal-03514705
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Reaction coordinates for complex TransformationsSéminaire, Nancy, Oct 2019, Nancy, France
Communication dans un congrès
hal-03719556
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Preparation of supported nickel-based catalysts with the aid of cyclodextrin for the direct amination of alcoholsFrench Conference on Catalysis (FCCat2 2019), Jun 2019, Fréjus, France
Communication dans un congrès
hal-02166172
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Liquid-solid IR study of the interaction of N-compounds with HY zeolites. Experimental and theoretical approachesFCCAT2, Jun 2019, Fréjus, France
Communication dans un congrès
hal-03516304
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Development of in situ liquid-solid IR-ATR methodology for the study of pyridine and indole adsorption on zeolitesMACS 2019, May 2019, Cabourg, France
Communication dans un congrès
hal-03516256
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Cyclodextrin-assisted low-metal Ni-Pd/Al<sub>2</sub>O<sub>3</sub> bimetallic catalysts for the direct amination of aliphatic alcoholsInternational Symposium on Green Chemistry (ISGC 2019), May 2019, La Rochelle, France
Communication dans un congrès
hal-02166161
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Trapping of radionuclides by porous materials : MOF and zeolitesFundamental of Adsorption, May 2019, Cairns, Australia
Communication dans un congrès
hal-03516319
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Adsorption of the Complex on the TiO2(110) surface in presence of water : Ab initio molecular dynamics studiesSolid-Liquid Interfaces: Challenging Molecular Aspects for Industrial Applications [SLIMAIA], Mar 2018, Rueil-Malmaison, France
Communication dans un congrès
hal-03516099
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Piégeage des espèces radioactives volatiles sur des adsorbants poreuxGFZ 2018, Mar 2018, Cabourg, France
Communication dans un congrès
hal-03516377
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Capture of radionuclides by porous materials : Metal-Organic Framework and zeolitesGroupe Français des Zéolithes (GFZ)- 1st International Edition, Mar 2018, Cabourg, France
Communication dans un congrès
hal-02318830
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Étude Théorique de l’Interaction entre l’Iode et les Surfaces d’OxydeGecat 2018, May 2018, Trégunc, France
Communication dans un congrès
hal-03516388
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FeMo-based catalysts for acrolein production : an in situ X-ray Photoelectron Spectroscopy study8th Tokyo Conference on Advanced Catalytic Science and Technology - TOCAT8, Aug 2018, Yokohama, Japan
Communication dans un congrès
hal-03515093
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Investigation of perovskite-based model three-way catalysts using surface analysis techniques – XPS / LEIS / ToF-SIMSLEIS Users meeting, May 2018, Londres, United Kingdom
Communication dans un congrès
hal-03515298
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Strong trapping of iodomethane by silver mordenite: a mechanistic description by ab initio molecular dynamics34th GFZ 2018, 1st International Edition, Mar 2018, Cabourg, France
Communication dans un congrès
hal-03516366
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Investigation of perovskite-based model three-way catalysts using surface analysis techniques – XPS/LEIS/ToF-SIMS8ème Conférence francophone sur les spectroscopies d’électrons ELSPEC 2018, Jun 2018, Biarritz, France
Communication dans un congrès
hal-03515320
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Etude spectroscopique combinée (XPS, LEIS, ToF-SIMS) de catalyseurs trois voies modèles à base de pérovskiteElspec 2018, Jun 2018, Biarritz, France
Communication dans un congrès
hal-03516345
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In situ and operando IR spectroscopy for investigation of solid-liquid interfaces during fuel purification by adsorption or catalytic processesInterfaces solide-liquide - La problématique des aspects moléculaires pour les applications industrielles scientific meeting IFPEN [SLIMAIA], Mar 2018, Rueil Malmaison, France
Communication dans un congrès
hal-02015619
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Étude de la réactivité d’espèces iodées sur des surface d’oxyde de fer et de chromeJournées Nord Ouest Européennes des Jeunes Chercheurs (JNOEJC) 2018, Jun 2018, Villeneuve d'Ascq, France
Communication dans un congrès
hal-03516406
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Facile preparation of Ni/Al₂O₃ catalytic formulations with the aid of cyclodextrin complexes for the direct amination of aliphatic alcohols with NH₃The 8th Tokyo Conference on Advanced Catalytic Science and Technology (TOCAT8), Aug 2018, Yokohama, Japan
Communication dans un congrès
hal-01972530
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«Direct amination of alcohols by cyclodextrin-assisted Ni/Al₂O₃ catalysts»18èmes Journées Cyclodextrines, 2017, Lens, France
Communication dans un congrès
hal-01726459
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Crystal Growth and Design of Neodynium Oxide Precursors and Implementation to ActinidesCollaborative Conference on Crystal Growth 3CG 2016, Sep 2016, San Sebastian, Spain
Communication dans un congrès
hal-02331554
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A method for accurate, non-destructive diagnosis of congenital heart defects from heart specimensBerlin Cardiovascular Development Meeting 2013, Sep 2013, Berlin, Germany
Communication dans un congrès
inserm-00872020
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Structure et réactivité d'oxomolybdates supportés sur TiO2 : Une analyse combinée DFT / spectroscopies operandoGECat 2008, May 2008, Hammamet, Tunisie
Communication dans un congrès
hal-00347588
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Modelling the adsorption of thiophene and benzene on MoS2: On the importance of a good surface descriptionCECAM: Chirality and Molecular Recognition at Surfaces, 2007, Lyon, France
Communication dans un congrès
hal-00169946
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Operando study of methanol oxidation over alumina-supported oxomolybdenum1st IDECAT conference on catalysis, 2007, Porquerolles, France
Communication dans un congrès
hal-00169971
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Structure optimization of phosphates by 17O NMR and first-principles calculationsStructure elucidation by coMbining mAgnetic Resonance, compuTation modEling and diffractions (SMARTER), 2007, Aveiro, Portugal
Communication dans un congrès
hal-00169960
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Calcul ab-initio et RMN de l'oxygène-17 dans les phosphatesJournée RMN structurale dans le bassin parisien, 2007, Orsay, France
Communication dans un congrès
hal-00169997
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Methanol oxidation on MoO3 entities deposited on TiO2: A DFT mechanistic studyEUROPACAT VII, 2007, Turku/Abo, Finland
Communication dans un congrès
hal-00169974
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A DFT study of benzene adsorption on a corner site of tungsten sulfide4th International symposium on the molecular aspects of catalysis by sulfides (MACS 4), 2007, Doorn, Netherlands
Communication dans un congrès
hal-00169942
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Etude théorique de MoxOy déposés sur TiO2-anatase3ème Réunion GFZ-GEcat-DivCat., 2007, La Grande Motte, France
Communication dans un congrès
hal-00170001
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Thiophene hydrodesulfurization mechanism studied by density functional theoryCNRS-AIST meeting, 2006, Tsukuba, Japan
Communication dans un congrès
hal-00101484
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A DFT study on benzene adsorption over tungsten sulfides12th Nordic Symposium on Catalysis, 2006, Trondheim, Norway
Communication dans un congrès
hal-00101487
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Modélisation de l'adsorption du thiophène et du benzène sur MoS2 : Importance d'une bonne description de la surface10ème journées de la matière condensée de la société française de physique (JMC 10), 2006, Toulouse, France
Communication dans un congrès
hal-00097955
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Calcul ab-initio de paramètres RMNJournée de Janvier du Réseau RMN Structurale dans le Grand Bassin Parisien, 2006, Tours, France
Communication dans un congrès
hal-00097954
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Exemple d'application de chimie théorique à la catalyse hétérogène : HDSGecat 2006 29/05-01/06, 2006, Mittelwihr, France
Communication dans un congrès
hal-00101671
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Combined DFT/Spectroscopic Studies of MoOx Species Interacting with TiO2 Support11th International Conference on Theoretical Aspects of Catalysis (ICTAC-11), 2006, Berlin, Germany
Communication dans un congrès
hal-00097972
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Étude théorique des catalyseurs d'oxyde de molybdène monomérique supporté sur l'oxyde de Titane (MoOx-TiO2)Journées Nord-Ouest Européennes des Jeunes Chercheurs, 2006, Lille, France
Communication dans un congrès
hal-00101754
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Operando studies of alumina-supported oxomolybdates for methanol selective oxidationSecond International Congress on Operando Spectroscopy, 2006, Toledo, Spain
Communication dans un congrès
hal-00097917
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Ab-initio study of the thiophene desulfurization mechanismFifth Tokyo Conference on Advanced Catalytic Science and Technology (TOCAT5), 2006, Tokyo, Japan
Communication dans un congrès
hal-00097973
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Combined DFT/spectroscopic studies of MoOx species interacting with TiO2 supportFifth Tokyo Conference on Advanced Catalytic Science and Technology (TOCAT5), 2006, France
Communication dans un congrès
hal-00097933
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DFT Studies of the HDS mechanismSéminaire: Idemitsu Research Laboratories, 2005, Chiba, Japan
Communication dans un congrès
hal-00101486
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Etude ab-initio des surfaces (100) de MoS2Séminaire théorique de l'Université de Caen, 2005, Caen, France
Communication dans un congrès
hal-00097957
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Calculations of Chemical Shielding and Electric Field Gradient Tensors in Molecular SievesXXI International Conference on Magnetic Resonance in Biological Systems, 2005, Hyderabad, India
Communication dans un congrès
hal-00097967
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DFT studies of the HDS mechanismSeminar of the Tokyo university of Science and agriculture, 2005, Tokyo, Japan
Communication dans un congrès
hal-00097959
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Combined DFT / spectroscopic study of MoOx species interacting with TiO2International Symposium Catalysis on oxide materials - theory and experiment - sharing needs and capabilities, 2005, Cracow, Poland
Communication dans un congrès
hal-00097910
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Thiophene hydrodesulfurization mechanism studied by density functional theoryEUROPACAT VII, 2005, Sofia, Bulgaria
Communication dans un congrès
hal-00097971
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La modélisation au laboratoire de catalyse de LilleJournée « calcul numérique intensif en chimie et en physique » de l'USTL, 2005, Lille, France
Communication dans un congrès
hal-00097950
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Cluster and periodic approaches for ab-initio calculation of NMR parameters in silicates and zeolitesEUROMAR / EENC 2005, 2005, Veldhoven, Netherlands
Communication dans un congrès
hal-00097968
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Thiophene hydrodesulfurization mechanism studied by density functional theoryNIOK – NRCS-Catalysis Workshop, 2005, Utrecht, Netherlands
Communication dans un congrès
hal-00097845
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Theoretical study of the adsorption of ethylene on Pd (111): comparison between hydrogenation and cracking reactions3rd European Congress on Catalysis, Europacat III, 31/08/97 - 6/09/97, 1997, Krakow, Poland
Communication dans un congrès
hal-00010547
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Etude de l'adsorption et de la fragmentation de fragments CHx et C2Hx sur Pd(111) par des calculs de DFT périodiquesJournées francophones des Jeunes physico-Chimistes, 16/07/96 - 18/07/96, 1996, Lille, France
Communication dans un congrès
hal-00010897
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Chemisorption and transformation of hydrocarbons molecules on a Pd(111) surface: a periodic density functional study6th International Conference on Theoretical Aspects of Heterogeneous Catalysis, 2/06/96 - 7/06/96, 1996, Tarragona, Spain
Communication dans un congrès
hal-00010651
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Chemisorption and decomposition of C1 and C2 hydrocarbons on a Pd(111) surface: a periodic density functional study11th International Congress on Catalysis, 30/06/96 - 5/07/96, 1996, Baltimore, United States
Communication dans un congrès
hal-00010312
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Chemisorption and decomposition of C1 and C2 hydrocarbons on a Pd(111) surface: a periodic density functional study1996, pp.1253-1262
Communication dans un congrès
hal-00009787
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Density functional periodic calculations for adsorption and diffusion on transition metal surfaces: H on Pd(111)CECAM Workshop on Recent Developments in Density Functional Theory, Computer Codes and Application in Chemistry and Physics, 1/03/94 - 3/03/94, 1994, Lyon, France
Communication dans un congrès
hal-00011325
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Periodic density functional calculations of the adsorption of hydrogen on a (111) Pd surface8th International Congress on Quantum Chemical Aspects of Heterogeneous Catalysis, 26/06/94 - 28/06/94, 1994, Berlin, Germany
Communication dans un congrès
hal-00010709
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Steps, kinks and defects on a metal catalyst: a theoretical analysis of their influence on adsorption and reactivityEuropacat-1, 12/09/93 - 17/09/93, 1993, Montpellier, France
Communication dans un congrès
hal-00010831
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