Jean-François Paul
Publications
Publications
|
|
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 |
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 |
|
Numerical study of the mechanical properties of Mg2SiO4 glasses10th International Conference on Multiscale Materials Modeling (MMM10), Oct 2022, Baltimore, United States |
|
Numerical study of the mechanical properties of Mg2SiO4 glasses23rd International Mineralogical Association General Meeting (IMA 2022), Jul 2022, Lyon, France |
|
Basic Properties of Supported Transition Metal Sulfides : combined DFT and infrared studyACS National Meeting, Aug 2020, Boston (MA), United States |
|
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 |
|
Reaction coordinates for complex TransformationsSéminaire, Nancy, Oct 2019, Nancy, France |
|
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 |
|
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 |
|
Development of in situ liquid-solid IR-ATR methodology for the study of pyridine and indole adsorption on zeolitesMACS 2019, May 2019, Cabourg, France |
|
Liquid-solid IR study of the interaction of N-compounds with HY zeolites. Experimental and theoretical approachesFCCAT2, Jun 2019, Fréjus, France |
|
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 |
|
Trapping of radionuclides by porous materials : MOF and zeolitesFundamental of Adsorption, May 2019, Cairns, Australia |
|
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 |
|
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 |
|
Étude Théorique de l’Interaction entre l’Iode et les Surfaces d’OxydeGecat 2018, May 2018, Trégunc, France |
|
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 |
|
Capture of radionuclides by porous materials : Metal-Organic Framework and zeolitesGroupe Français des Zéolithes (GFZ)- 1st International Edition, Mar 2018, Cabourg, France |
|
Piégeage des espèces radioactives volatiles sur des adsorbants poreuxGFZ 2018, Mar 2018, Cabourg, France |
|
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 |
|
Strong trapping of iodomethane by silver mordenite: a mechanistic description by ab initio molecular dynamics34th GFZ 2018, 1st International Edition, Mar 2018, Cabourg, France |
|
Investigation of perovskite-based model three-way catalysts using surface analysis techniques – XPS / LEIS / ToF-SIMSLEIS Users meeting, May 2018, Londres, United Kingdom |
|
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 |
|
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 |
|
Etude spectroscopique combinée (XPS, LEIS, ToF-SIMS) de catalyseurs trois voies modèles à base de pérovskiteElspec 2018, Jun 2018, Biarritz, France |
|
«Direct amination of alcohols by cyclodextrin-assisted Ni/Al₂O₃ catalysts»18èmes Journées Cyclodextrines, 2017, Lens, France |
|
Crystal Growth and Design of Neodynium Oxide Precursors and Implementation to ActinidesCollaborative Conference on Crystal Growth 3CG 2016, Sep 2016, San Sebastian, Spain |
|
|
|
A method for accurate, non-destructive diagnosis of congenital heart defects from heart specimensBerlin Cardiovascular Development Meeting 2013, Sep 2013, Berlin, Germany |
Structure et réactivité d'oxomolybdates supportés sur TiO2 : Une analyse combinée DFT / spectroscopies operandoGECat 2008, May 2008, Hammamet, Tunisie |
|
Etude théorique de MoxOy déposés sur TiO2-anatase3ème Réunion GFZ-GEcat-DivCat., 2007, La Grande Motte, France |
|
Methanol oxidation on MoO3 entities deposited on TiO2: A DFT mechanistic studyEUROPACAT VII, 2007, Turku/Abo, Finland |
|
Structure optimization of phosphates by 17O NMR and first-principles calculationsStructure elucidation by coMbining mAgnetic Resonance, compuTation modEling and diffractions (SMARTER), 2007, Aveiro, Portugal |
|
Calcul ab-initio et RMN de l'oxygène-17 dans les phosphatesJournée RMN structurale dans le bassin parisien, 2007, Orsay, France |
|
Operando study of methanol oxidation over alumina-supported oxomolybdenum1st IDECAT conference on catalysis, 2007, Porquerolles, France |
|
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 |
|
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 |
|
A DFT study on benzene adsorption over tungsten sulfides12th Nordic Symposium on Catalysis, 2006, Trondheim, Norway |
|
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 |
|
Calcul ab-initio de paramètres RMNJournée de Janvier du Réseau RMN Structurale dans le Grand Bassin Parisien, 2006, Tours, France |
|
Exemple d'application de chimie théorique à la catalyse hétérogène : HDSGecat 2006 29/05-01/06, 2006, Mittelwihr, France |
|
Thiophene hydrodesulfurization mechanism studied by density functional theoryCNRS-AIST meeting, 2006, Tsukuba, Japan |
|
Combined DFT/Spectroscopic Studies of MoOx Species Interacting with TiO2 Support11th International Conference on Theoretical Aspects of Catalysis (ICTAC-11), 2006, Berlin, Germany |
|
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 |
|
Operando studies of alumina-supported oxomolybdates for methanol selective oxidationSecond International Congress on Operando Spectroscopy, 2006, Toledo, Spain |
|
Ab-initio study of the thiophene desulfurization mechanismFifth Tokyo Conference on Advanced Catalytic Science and Technology (TOCAT5), 2006, Tokyo, Japan |
|
Combined DFT/spectroscopic studies of MoOx species interacting with TiO2 supportFifth Tokyo Conference on Advanced Catalytic Science and Technology (TOCAT5), 2006, France |
|
Thiophene hydrodesulfurization mechanism studied by density functional theoryNIOK – NRCS-Catalysis Workshop, 2005, Utrecht, Netherlands |
|
DFT studies of the HDS mechanismSeminar of the Tokyo university of Science and agriculture, 2005, Tokyo, Japan |
|
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 |
|
Calculations of Chemical Shielding and Electric Field Gradient Tensors in Molecular SievesXXI International Conference on Magnetic Resonance in Biological Systems, 2005, Hyderabad, India |
|
Etude ab-initio des surfaces (100) de MoS2Séminaire théorique de l'Université de Caen, 2005, Caen, France |
|
DFT Studies of the HDS mechanismSéminaire: Idemitsu Research Laboratories, 2005, Chiba, Japan |
|
La modélisation au laboratoire de catalyse de LilleJournée « calcul numérique intensif en chimie et en physique » de l'USTL, 2005, Lille, France |
|
Thiophene hydrodesulfurization mechanism studied by density functional theoryEUROPACAT VII, 2005, Sofia, Bulgaria |
|
Cluster and periodic approaches for ab-initio calculation of NMR parameters in silicates and zeolitesEUROMAR / EENC 2005, 2005, Veldhoven, Netherlands |
|
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 |
|
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 |
|
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 |
|
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 |
|
Chemisorption and decomposition of C1 and C2 hydrocarbons on a Pd(111) surface: a periodic density functional study1996, pp.1253-1262 |
|
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 |
|
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 |
|
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 |