florent Louis
Publications
Publications
Studying the OH-initiated oxidation mechanism of clomazone using computational chemistry tools: Implications for environmentWP2 day of the Cross-Disciplinary Project Aerosol at the heaRt of the Earth Atmosphere system (AREA), Oct 2025, Villeneuve d'Ascq, France |
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Exploring the Se Atmospheric Journey Map with Cooperative Experiments and SimulationsWorkshop on theoretical physical chemistry and atmospheric chemistry, Jul 2025, Marseille, France |
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Studying the Aqueous Phase Reactivity of Pesticides Using in silico Tools: Implications for Environmental ConditionsACS Spring 2025, Mar 2025, San Diego, United States |
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Tackling the Atmospheric Chemistry of Emerging Contaminants from a Molecular ApproachACS Spring 2025, Mar 2025, San Diego, United States |
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In silico studies of the atmospheric reactivity of organic contaminantsMolecular-Level Understanding of Atmospheric Aerosols (MUOAA), Apr 2024, Cargèse, France |
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HO•-initiated atmospheric degradation of chlorpyrifos pesticide: mechanistic, kinetic, and ecotoxicity studiesCanadian Chemistry Conference and Exhibition (CSC 2024), Jun 2024, Winnipeg, Canada |
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Insights on relevant selenium compounds atmospherically active using in silico toolsCanadian Chemistry Conference and Exhibition (CSC 2024), Jun 2024, Winnipeg, Canada |
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Modélisation de la réactivité atmosphérique de contaminants organiques : mécanismes, cinétique et écotoxicitéJournée scientifique WP2 ECRIN, May 2024, Villeneuve d'Ascq, France |
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The selenium in you: why we take an atmospheric interest in a disregarded element2024 scientific day of the Labex CaPPA, Mar 2024, Villeneuve d'Ascq, France |
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Unravelling the atmospheric degradation of pesticides using computational chemistry toolsThe 8th Japan-Czech-Slovakia (JCS) International Symposium on Theoretical Chemistry, Jun 2024, Sapporo, Japan |
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Using computational chemistry tools for assessing atmospheric chemistry of emerging contaminantsCanadian Chemistry Conference and Exhibition (CSC 2024), Jun 2024, Winnipeg, Canada |
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The atmospheric fate of cashmeran from musk-smelling volatile chemical products (VCPs)Journées des masters, Jun 2024, Villeneuve d'Ascq, France |
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Elucidating the gas phase adsorption of CH<sub>3</sub>I on sea-salt aerosol using computational chemistryCanadian Chemistry Conference and Exhibition (CSC 2023), Jun 2023, Vancouver, Canada |
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HO•-initiated aqueous phase degradation of metazachlor and quinmerac herbicides: mechanistic, kinetic, and ecotoxicity studiesCanadian Chemistry Conference and Exhibition (CSC 2023), Jun 2023, Vancouver, Canada |
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Outils de modélisation de la chimie de l'atmosphère : Etude de l'accident de Fukushima DaiichiCNRIUT 2023 Saint Pierre - La Réunion, IUT de Saint Pierre, Jun 2023, Saint Pierre (La Réunion), La Réunion |
Atmospheric oxidation of phosmet and quinmerac initiated by OH radicals: mechanistic, kinetic, and ecotoxicity studiesXLVI International Congress of Theoretical Chemists of Latin Expression, Nov 2023, Montevideo, Uruguay |
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Ozonation of Phosmet Insecticide in the Gas Phase: Mechanistic and Kinetics Studies10th Asia-Pacific Association of Theoretical and Computational Chemistry Conference (APATCC), Feb 2023, Quy Nhon, Vietnam |
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Insights in tropospheric chemistry of iodomethanes using computational chemistry toolsCanadian Chemistry Conference and Exhibition (CSC 2023), Jun 2023, Vancouver, Canada |
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Studying the atmospheric reactivity of pesticides with molecular simulationsCanadian Chemistry Conference and Exhibition CCCE, Jun 2022, Calgary, Canada |
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Thermochemical and kinetic studies of hydrogen abstraction reactions of halogenated polycyclic aromatic hydrocarbons by H atoms2nd French-Slovak workshop on hot topics in physical chemistry and chemical physics – experiments and modelling, Sep 2022, Bratislava, Slovakia |
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Atmospheric chlorine chemistry modelling2nd French-Slovak workshop on hot topics in physical chemistry and chemical physics – experiments and modelling, Sep 2022, Bratislava, Slovakia |
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Reinvestigation of the Zr-Cr binary system in the framework of the ATF assessment in severe accident conditionsThe Nuclear Materials Conference (NuMat 2022), Oct 2022, Ghent, Belgium |
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Theoretical study of the adsorption of CH<sub>3</sub>I on ice and model sea-salt surfaces2nd French-Slovak workshop on hot topics in physical chemistry and chemical physics – experiments and modelling, Sep 2022, Bratislava, Slovakia |
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What is the role of microhydration on the atmospheric reactivity of iodomethane ?2nd French-Slovak workshop on hot topics in physical chemistry and chemical physics – experiments and modelling, Sep 2022, Bratislava, Slovakia |
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Recent insights into atmospheric chemistry of phytosanitary products,2nd French-Slovak workshop on hot topics in physical chemistry and chemical physics – experiments and modelling, Sep 2022, Bratislava, Slovakia |
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Box Modelling of Gas-Phase Atmospheric Chlorine Chemistry2022 scientific day of the Labex CaPPA, Mar 2022, Villeneuve d'Ascq, France. ⟨10.5194/acp-23-15165-2023⟩ |
Analyses en température des équilibres de phases dans les systèmes chimiques d’intérêt pour le comportement des gaines ATF (Advanced Tolerant Fuel) en situation accidentelleRecherche amont pour les réacteurs et les cycles de combustible NEEDS - GDR SciNEE, Sep 2022, Orsay, France |
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Atmospheric reactivity of tetraphenols2nd French-Slovak workshop on hot topics in physical chemistry and chemical physics – experiments and modelling, Sep 2022, Bratislava, Slovakia |
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Reaction mechanism of the OH-initiated atmospheric degradation of 5-chlorophenol2nd French-Slovak workshop on hot topics in physical chemistry and chemical physics – experiments and modelling, Sep 2022, Bratislava, Slovakia |
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Cyclo[N]carbon rings and catenanes from different perspective. Disentangling molecular thread12th Triennial Congress of the World Association of Theoretical and Computational Chemists WATOC, Jul 2022, Vancouver, Canada |
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Reaction kinetics of the consumption mechanism of Oxygenated polycyclic Aromatic Hydrocarbons (OPAHs)2nd Low Carbon Combustion, Apr 2022, Cambridge, United Kingdom |
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Atmospheric chemistry of oxygenated mercury-containing compoundsEGU General Assembly, Session “Halogens in the troposphere”, Apr 2021, Vienna, Austria |
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Unraveling the Reaction Mechanism of OH Radicals with Chloromethyl HydroperoxideStudent Scientific Conference of Faculty of Natural Sciences, Comenius University in Bratislava, Apr 2021, Bratislava, Slovakia |
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Some new investigations of phase diagram and thermodynamic properties of Zr-Cr binary system8èmes Journées annuelles du GDR Thermodynamique des matériaux haute-température (THERMATHT), Laboratoire des Multimatériaux et Interfaces - LMI, Feb 2021, Lyon, France |
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Unraveling the Atmospheric Degradation of MetazachlorCongrès International sur les Matériaux et l’ENergie (CIMEN), Nov 2021, Sousse, Tunisia |
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Hydrogen abstraction reaction of H atom from PAHs: electronic structure, reaction mechanism, and kineticsCongrès International sur les Matériaux et l’ENergie (CIMEN), Nov 2021, Sousse, Tunisia |
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Environmental aspects of atmospheric chemistry modelling1st french-slovak workshop, Sep 2021, Bratislava, Slovakia |
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Investigation of the adsorption of CH<sub>3</sub>I on NaCl and ice surfacesRCP21-Rencontres de Chimie-Physique 2021-SCF21, Sep 2021, Sète, France |
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Investigation of the reaction OH+CH2ClOOH of atmospheric interestEGU General Assembly, Session “Halogens in the troposphere”, Apr 2021, Vienna, Austria |
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Chimie de l’iode : de la centrale à l’atmosphèreAtelier « Matériaux du nucléaire et transfert : approches expérimentale et théorique » du GDR SCINEE, Mar 2020, Villeneuve d'Ascq, France |
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Theoretical study of infrared spectra of iodide molecules on NaCl surfacesRéunion annuelle du GDR ThéMS (Dynamique quantique dans les systèmes moléculaires. Théorie modélisation simulation), Dec 2020, Montpellier, France |
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2020 et les premiers pas du « Cluster de recherche » OVERSEE (mOdélisation innoVante dEs aéRoSols dE radionucléidEs »Journée scientifique IRePSE, Nov 2020, Lille, France |
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Theoretical study of the reaction of BrHgO + CO: An analogue of OH + CO38th Northeast Regional Meeting on Kinetics and Dynamics, Jan 2020, Cambridge, United States |
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Thermal Reduction of Hg(II) in the Gaseous AtmosphereAmerican Geophysical Union Fall Meeting, Dec 2020, San Francisco, United States |
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Theoretical study of infrared spectra of iodide molecules on NaCl surfacesRéunion annuelle du GDR ThéMS, Dec 2020, Visioconférence, France |
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Microhydration of HOIO: structural and thermochemical properties of HOIO + n H2O (n =1-4)17th Central European Symposium on Theoretical Chemistry, Sep 2019, Burg Schlaining, Austria |
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Atmospheric chemistry of iodous and iodic acids11th International Conference on Chemical Kinetics, Jun 2019, Orléans, France |
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Chimie Atmosphérique de l'iode : de l'échelle moléculaire aux modèles de chimie transportCongrès National de la Recherche en IUT, Jun 2018, Aix en Provence, France |
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Thermochemical properties on reactivity of iodine-containing speciesGroupe de cinétique et de photochimie en phase gazeuse, Jun 2017, Douai, France |
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Atmospheric chemistry of iodine from molecular level to chemistry-transport modellingInternational Conference on Aerosol Cycle (ICAC), Mar 2017, Villeneuve d'Ascq, France |
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Modelling of iodine atmospheric chemistryComputational chemistry for pollutant mitigation, Mar 2017, Rueil-Malmaison, France |
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Thermochemical properties of halogenated peroxy and alkoxy radicals of atmospheric interestCentral European Symposium on Theoretical Chemistry, Sep 2017, Wisla, Poland |
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Modelling of the fission products reactivity using quantum chemistry tools3ème Journée Scientifique du Labex CaPPA, Feb 2016, Villeneuve d'Ascq, France |
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Modélisation du comportement du ruthénium lors de son transport dans le circuit primaireJournées des thèses IRSN, Mar 2016, Le Croisic, France |
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IRSN R&D Actions on FP Behaviour for RCS, Containment and FCVS in Severe Accident Conditions2016 24th International Conference on Nuclear Engineering, Jun 2016, Charlotte, United States. ⟨10.1115/ICONE24-61104⟩ |
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Modeling ruthenium chemistry in primary circuit in severe accident conditions occurring to nuclear power plantMaterials Science and Engineering, Sep 2016, Darmstadt, Germany |
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Chimie-transport de l'iode radioactif dans l'atmosphère lors d'un accident nucléaireCongrès National de la Recherche en IUT, Jun 2016, Nantes, France |
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Chemistry of caesium - CASPT2 and coupled cluster studiesXLII Congreso de Quimicos Teóricos de Expresión Latina, Nov 2016, Montevideo, Uruguay |
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Atmospheric chemistry of iodine from molecular level to chemistry-transport modellingXLII Congreso de Quimicos Teóricos de Expresión Latina, Nov 2016, Montevideo, Uruguay |
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Thermodynamic properties of iodine nitroxides (INOy)Groupe de cinétique et de photochimie en phase gazeuse, May 2016, Reims, France |
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Ab initio and DFT benchmarking of tungsten nanoclusters and tungsten hydridesStudentska vedecka Konferencia, PriF UK 2015, Apr 2015, Bratislava, Slovakia |
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Thermodynamic properties of some ruthenium gaseous speciesCongrès de la Société Chimique de France 2015, Jul 2015, Lille, France |
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Reactivity of iodine (V) oxides: implications for atmospheric chemistry and nuclear safetyCentral European Symposium on Theoretical Chemistry, Sep 2015, Banská Bystrica, Slovakia |
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Modélisation du comportement du ruthénium lors de son transport dans le circuit primaireJournée des thèses IRSN, Apr 2015, L'Isle sur la Sorgue, France |
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Modelling of the behaviour of iodine oxidesGroupe de cinétique et de photochimie en phase gazeuse, Jun 2015, Nancy, France |
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A theoretical study of the microhydration processes of nitrogen iodine oxides: Implications for atmospheric chemistry and nuclear safetyCentral European Symposium on Theoretical Chemistry, Sep 2014, Nagybörzsöny, Hungary |
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Étude théorique du rôle du bore sur le comportement de l’iode dans le circuit primaire d’un réacteurJournée des thèses IRSN, Oct 2013, Presqu'ile de Giens, France |
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Applications of theoretical chemistry tools to nuclear safety issuesInternational Meeting on Atomic and Molecular Physics and Chemistry (IMAMPC), Jul 2013, Villeneuve d'Ascq, France |
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A theoretical study of cesium borates compoundsInternational Meeting on Atomic and Molecular Physics and Chemistry (IMAMPC), Jul 2013, Villeneuve d'Ascq, France |
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Atmospheric reactivity of iodoalkanes towards OH radicalsInternational Meeting on Atomic and Molecular Physics and Chemistry (IMAMPC), Jul 2013, Villeneuve d'Ascq, France |
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Atmospheric degradation of two short-lived brominated hydrocarbons (CHBr 3 and CH 2 Br 2 )22nd International Symposium on Gas Kinetics, Jun 2012, Boulder, United States |
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Etude théorique de processus environnementaux à l’échelle moléculaireSéminaire IRePSE Calculs scientifiques en environnement : modélisation, bases de données, moyens et applications, Apr 2012, Wimereux, France |
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Reactivity of iodoalkanes5th International Symposium on Non-equilibrium Processes, Plasma, Combustion, and Atmospheric Phenomena (NEPCAP), Oct 2012, Sochi, Russia |
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Étude théorique du rôle du bore sur le comportement de l’iode dans le circuit primaire d’un réacteurJournées des thèses IRSN, Oct 2012, Le Croisic, France |
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Atmospheric reactivity of iodoalkanes with OH radicalsGroupe de cinétique et de photochimie en phase gazeuse, May 2011, Villeneuve d'Ascq, France |
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Ability of theoretical chemistry to predict thermochemistry and reactivity of gaseous caesium species of nuclear safety interestWorld Association of Theoretical and Computational Chemists (WATOC), Jul 2011, Santiago de Compostela, Spain |
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Heavy iodine in spotlight4th Japan-Czech-Slovak Symposium for Theoretical and Computational Chemistry, May 2011, Byšice, Czech Republic |
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Etude de la solvatation de composés d'intérêt en sûreté nucléaire et en chimie atmosphérique par simulations de dynamique moléculaire classiqueGroupe de cinétique et de photochimie en phase gazeuse, Jun 2010, Wimereux, France |
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Réactivité des produits de fission en conditions accidentelles dans un réacteur nucléaire : approche expérimentale et théoriqueJournée sur la coopération scientifique IRSN/CNRS, Mar 2010, Cadarache, France |
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Numerical and Experimental Study of NCN Mechanism: Contribution to Prompt-NO Formation4th European Combustion Meeting, Apr 2009, Vienna, Austria |
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How to predict theoretical quantitative thermokinetic parameters: Application to halogenated systems of atmospheric interest237th American Chemical Society National Meeting, Mar 2009, Salt Lake City, United States |
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A Thermokinetic Theoretical Study of the Isomerization Processes in Toluene and o-Xylene Oxidation4th European Combustion Meeting, Apr 2009, Vienna, Austria |
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Towards affordable computational kinetics for combustion processes237th American Chemical Society National Meeting, Mar 2009, Salt Lake City, United States |
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Application of Computational Chemistry to Combustion Processes: Generation of Reliable Thermokinetic Data for the Aromatics Oxidation Mechanisms237th American Chemical Society National Meeting, Mar 2009, Salt Lake City, United States |
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Réactivité hétérogène du dioxyde d’azote sur des particules minéralesJournées Interdisciplinaires de la Qualité de l’Air (JIQA), Feb 2008, Villeneuve d'Ascq, France |
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Cinétique d’incorporation du dioxyde d’azote par des surfaces solides de chlorure de sodium et de sulfate d’ammoniumGroupe de cinétique et de photochimie en phase gazeuse, Jun 2008, Strasbourg, France |
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Heterogeneous interactions of NO2 with solid (NH4)2SO4 surfacesEuropean Aerosol Conference, Sep 2007, Salzburg, Austria |
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Heterogeneous atmospheric aerosol chemistry: laboratory studies, ECO-NET Meeting, May 2007, Szeged, Hungary |
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Heterogeneous interaction of NO2 on mineral particles and aqueous surfacesECO-NET Meeting, May 2007, Szeged, Hungary |
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Réactivité Hétérogène du dioxyde d’azote sur des pastilles de chlorure de sodiumGroupe de cinétique et de photochimie en phase gazeuse, Jun 2007, Marseille, France |
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Réactivité Hétérogène du dioxyde d’azote sur des surfaces aqueusesJournées Interdisciplinaires de la Qualité de l’Air (JIQA), Jan 2007, Villeneuve d'Ascq, France |
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Etudes des interactions du dioxyde d'azote avec des particules de sulfate d'ammoniumGroupe de cinétique et de photochimie en phase gazeuse, May 2006, Nancy, France |
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Interactions of gas-phase phenolic compounds with aqueous aerosols: implications for tropospheric chemistry15th IUAPPA Regional Conference, Sep 2006, Lille, France |
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Cinétique d’incorporation du dioxyde d’azote dans des solutions aqueusesJournées Nord-Européennes des Jeunes Chercheurs, Apr 2006, Villeneuve d'Ascq, France |
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Comment estimer des paramètres cinétiques de réactions d’intérêt atmosphérique par des méthodes de chimie quantique ?Workshop Interface Spectroscopie Chimie, Apr 2005, Villeneuve d'Ascq, France |
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Estimation de paramètres cinétiques de réactions d’intérêt combustionnel par des méthodes de chimie quantiqueAvancées dans le domaine de la cinétique chimique de combustion, May 2005, Villeneuve d'Ascq, France |
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Cinétique d’incorporation de dérivés phénoliques dans les aérosols aqueux : Implications atmosphériquesJournées Nord-Européennes des Jeunes Chercheurs, Mar 2004, Villeneuve d'Ascq, France |
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Temperature Dependence of the Mass Accommodation Coefficients and Henry’s Law Constants of Phenolic Derivative: Implications for Tropospheric Multiphase ChemistryEuropean Geophysical Union, Apr 2004, Nice, France |
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Uptake Measurements of Phenolic Compounds by Water Droplets and Determination of their Henry’s Law Constants Over the Temperature Range 278-303 K: Implications for Tropospheric Multiphase Chemistry18th International Symposium on Gas Kinetics, Aug 2004, Bristol, United Kingdom |
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Cinétique d’incorporation de composés phénoliques dans les surfaces liquides aqueuses2ème Journée Interdisciplinaire Qualité de l’Air (JIQA), Jan 2004, Villeneuve d'Ascq, France |
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Cinétique d’incorporation du benzaldéhyde dans les surfaces liquides aqueusesGroupe de cinétique et de photochimie en phase gazeuse, Jun 2003, Orléans, France |
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Theoretical Study of the Reactivity of H Atoms with a Series of Halomethanes in the Temperature Range of Combustion Interest17th International Symposium on Gas Kinetics, Aug 2002, Essen, Germany |
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Application of Computational Kinetics to Combustion Problems223rd American Chemical Society National Meeting, Apr 2002, Orlando, United States |
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How to Predict Kinetic Parameters Using the Combination of Electronic Structure Calculations and Transition State Theory223rd American Chemical Society National Meeting, Apr 2002, Orlando, United States |
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Effect of Bromine Substitution on the Lifetimes and Ozone Depletion Potentials of Organic CompoundsHalon Options Technical Working Conference (HOTWC 2002), Apr 2002, Gaithersburg, United States |
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Etude théorique de la réactivité d’une série d’halogénométhanes avec des atomes d’hydrogèneGroupe de cinétique et de photochimie en phase gazeuse, Jun 2001, Villeneuve d'Ascq, France |
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General expression for the effective mass in the 1-D treatment of tunneling corrections222nd American Chemical Society National Meeting, Aug 2001, Chicago, United States |
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Ab Initio Studies of the Kinetics of the Reactions of OH Radicals with a Series of Haloalkanes5th International Conference on Chemical Kinetics, Jul 2001, Gaithersburg, United States |
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Heterogeneous processes of BrO radical on solid surfaces of seasaltsSymposium 2000 Eurotrac-2 "Transport and chemical transformation in the troposphere", Mar 2000, Garmisch-Partenkirchen, Germany |
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A Frugal Quantum Chemist Approach to Computational Kinetics220th American Chemical Society National Meeting, Aug 2000, Washington DC, United States |
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An Ab initio-Based Screening Tool for the Atmospheric Lifetimes of Halon ReplacementsHalon Options Technical Working Conference (HOTWC 2000), May 2000, Albuquerque, United States |
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Ab Initio Quantum Chemical Treatment of the Kinetics of H-atom Abstraction Reactions: Implementation and Application of a Theoretical Screening Tool for Atmospheric Chemistry219th American Chemical Society National Meeting, Mar 2000, San Francisco, United States |
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Development of a computational chemistry screening tool for the prediction of environmental properties of halogenated organics4th Annual Green Chemistry and Engineering Conference, Jun 2000, Washington DC, United States |
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Ab Initio Study of the Mechanisms Governing the Gas-Phase Reaction between the OH radical and the Hydrofluoroether CHF2OCHF23rd Congress of the International Society for Theoretical Chemical Physics, Nov 1999, Mexico, Mexico |
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Heterogeneous loss of BrO radicals on solid surfaces3rd Workshop of the Eurotrac-2 Subproject "Chemical Mechanism Development", Sep 1999, Aachen, Germany |
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Laboratory Studies for Elucidating the Environmental Effects of Naturally Occurring and Anthropogenic Trace GasesAmerican Geophysical Union Spring Meeting, Jun 1999, Boston, United States |
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Etude théorique ab initio de la cinétique des réactions du méthane avec les radicaux XO (X = F et Cl) dans la gamme de température 250 – 2500 KGroupe de cinétique et de photochimie en phase gazeuse, Jun 1999, Paris, France |
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Etudes expérimentale et théorique ab initio de la réaction des atomes de fluor avec les halogénométhanes de type CHCl3-xFx (x = 0, 1, 2 ou 3)Groupe de cinétique et de photochimie en phase gazeuse, Jun 1997, Paris, France |
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Experimental and ab Initio Theoretical Studies of the Reactions between Fluorine Atoms and a Series of Halogenated Methanes4th International Conference on Chemical Kinetics, Jul 1997, Gaithersburg, United States |
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Etude des processus de dégradation thermique de quelques composés organiques volatils d’intérêt industriel10th World Clean Air Congress and Exhibition, May 1995, Helsinki, Finlande |
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Etude cinétique de la réaction des atomes de fluor avec le trifluorométhane CHF3. Approches expérimentale et théoriqueGroupe de cinétique et de photochimie en phase gazeuse, Jun 1995, Paris, France |
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Kinetics of the Reactions of Atomic Chlorine with Halomethanes of Type CHCl3-xFx13th International Symposium on Gas Kinetics, Sep 1994, Dublin, Ireland |
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Etude cinétique des processus de dégradation thermique de quelques solvants organiques entre 600 et 900 °C en vue de leur incinérationJournées Internationales sur les Flammes, Mar 1994, Biarritz, France |
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L’incinération par chauffage électrique : une nouvelle technique de traitement thermique des effluents gazeux9th World Clean Air Congress and Exhibition, Aug 1992, Montréal, Canada |
Rate Constant Calculation of Benzylperoxy Radical IsomerizationEditors K. Han and T. Chu. Reaction Rate Constant Computations: Theories and Applications, pp.34-54, 2013 |