Patricia ROTUREAU
132
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Development of an in vitro method to assess the cytotoxic effect of pyrotechnic smoke compositions46th International Pyrotechnics Seminar - Europyro 2023, Sep 2023, Saint-Malo, France
Conference papers
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Evaluer les dangers des matières qui polymérisent par méthodes expérimentales et chimie théorique18. Congrès de la Société Française de Génie des Procédés (SFGP 2022), Nov 2022, Toulouse, France
Conference papers
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On the Hazard Investigation of Polymerizing Substances through Experimental Methods and Theoretical Chemistry17. International Symposium on Loss Prevention and Safety Promotion in the Process Industry 2022, Jun 2022, Prague, Czech Republic. ⟨10.3303/CET2290062⟩
Conference papers
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Runaway reaction hazard assessment for chemical processes safety16. International Symposium on Loss Prevention and Safety Promotion in the Process Industry, Jun 2019, Delft, Netherlands
Conference papers
ineris-03237740v1
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Evaluation du risque d’emballement de réaction pour la sécurité des procédés chimiques17. Congrès de la Société Française de Génie des Procédés (SFGP 2019), Oct 2019, Nantes, France
Conference papers
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Investigation of ammonium nitrate contaminants based on computational chemistry approach16. International Symposium on Loss Prevention and Safety Promotion in the Process Industry, Jun 2019, Delft, Netherlands
Conference papers
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French Market Surveillance of the CE-marked explosives and pyrotechnic articles44. International Pyrotechnics Society seminar (EUROPYRO 2019), Jun 2019, Tours, France. pp.851-858
Conference papers
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Assessing the flammability of liquid mixtures by predictive approach as a complement to experimental measurements16. International Symposium on Loss Prevention and Safety Promotion in the Process Industry, Jun 2019, Delft, Netherlands
Conference papers
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In Silico Design of Sugar-based SurfactantsInternational symposium on green chemistry (ISGC 2019), May 2019, La Rochelle, France
Conference papers
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Predictive methods for determining the thermal decomposition properties of hazardous substances16. International Symposium on Loss Prevention and Safety Promotion in the Process Industry, Jun 2019, Delft, Netherlands
Conference papers
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Compréhension et prédiction des mécanismes d’incompatibilités chimiques à l’aide de la DFT16. Rencontre des Chimistes Théoriciens Francophones (RCTF 2018), Oct 2018, Toulouse, France. pp.65
Conference papers
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Modélisation à l’échelle moléculaire pour la maîtrise des risques industriels16. Rencontre des Chimistes Théoriciens Francophones (RCTF 2018), Oct 2018, Toulouse, France. pp.20
Conference papers
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Investigation of ammonium nitrate contaminants based on computational chemistry approachesJournées "Théorie, Modélisation et Simulations" (JMTS 2018), May 2018, Paris, France
Conference papers
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Predictive methods for determining the thermal decomposition properties of hazardous substances10. World Congress of chemical engineering (WCCE), Oct 2017, Barcelone, Spain
Conference papers
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Evaluation of hazardous properties of substances by QSPR models : case of thermal stability of organic peroxides16. Congrès de la Société Française de Génie des Procédés (SFGP 2017), Jul 2017, Nancy, France. pp.860
Conference papers
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Modèles QSPR pour la prédiction des propriétés des tensioactifs dérivés de sucre16. Congrès de la Société Française de Génie des Procédés (SFGP 2017), Jul 2017, Nancy, France. pp.184
Conference papers
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Predictive methods for determining the decomposition properties of hazardous substances : from development to experimental verification - HAZPRED Project5. SAFERA Symposium "Emergence of a New Collaborative Work Programme on Industrial Safety", May 2017, Bilbao, Spain
Conference papers
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New QSPR models to predict the amphiphilic properties of sugar based surfactantsInternational symposium on green chemistry (ISGC 2017), May 2017, La Rochelle, France
Conference papers
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Estimating the flammability of liquid mixtures using QSPR models10. World Congress of chemical engineering (WCCE), Oct 2017, Barcelone, Spain
Conference papers
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Prédiction des propriétés physico-chimiques dans le cadre du projet PREDIMOLSéminaire IFPEN - SFGP "Données thermodynamiques : production, cohérence et impact sur le dimensionnement des procédés industriels", Apr 2016, Rueil-Malmaison, France
Conference papers
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Predictive methods for determining the decomposition properties of hazardous substances : from development to experimental verification (HAZPRED)4. SAFERA Symposium "Emergence of a new collaborative work programme on industrial safety", Apr 2016, Athene, Greece
Conference papers
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La modélisation moléculaire pour l'évaluation de la sécurité des substances et des procédésDemi-Journée modélisation et simulation en agro-ressources, Jan 2016, Reims, France
Conference papers
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Predictive models for amphiphilic properties of sugar-based surfactants14. International Conference on Properties and Phase Equilibria for Product and Process Design (PPEPPD 2016), May 2016, Porto, Portugal
Conference papers
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QSPR model for regulatory purpose : from development to integration into the QSAR toolbox15. International Symposium on Loss Prevention and Safety Promotion in the Process Industry, Jun 2016, Freiburg, Germany. pp.79-84, ⟨10.3303/CET1648014⟩
Conference papers
ineris-01862947v1
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Theoretical prediction of physico-chemical properties of chemicals for regulatory purposes17. International Workshop on Quantitative Structure-Activity Relationship in Environmental and Health Sciences (QSAR 2016), Jun 2016, Miami, United States. pp.65
Conference papers
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Prediction of the flash points of organic mixtures by QSPR models17. International Workshop on Quantitative Structure-Activity Relationship in Environmental and Health Sciences (QSAR 2016), Jun 2016, Miami, United States. pp.16
Conference papers
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Molecular modeling as a complementary approach of experimental evaluation of incompatibilities of ammonium nitrate15. International Symposium on Loss Prevention and Safety Promotion in the Process Industry, Jun 2016, Freiburg, Germany. pp.145-150, ⟨10.3303/CET1648025⟩
Conference papers
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Maîtriser les risques liés aux nanomatériaux : outils et dispositif financierSalon Chimexpo, Oct 2016, Avignon, France
Conference papers
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QSPR models to predict hazardous physico-chemical properties of reactive substances for REACH17. International Workshop on Quantitative Structure-Activity Relationship in Environmental and Health Sciences (QSAR 2016), Jun 2016, Miami, United States. pp.66
Conference papers
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La modélisation moléculaire pour l'évaluation de la sécurité des substances et des procédésSalon Chimexpo, Oct 2016, Avignon, France
Conference papers
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How to use QSPR type approaches to predict the properties of green chemicals3. International symposium on green chemistry (ISGC 2015), May 2015, La Rochelle, France
Conference papers
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Data analysis of sugar-based surfactant properties : towards quantitative structure property relationshipsSéminaire PIVERT, Jun 2015, Compiègne, France
Conference papers
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Apport de la modélisation moléculaire pour l’évaluation de la sécurité des produits et des procédésConférence internationale INRS "Le risque chimique : méthodes et techniques innovantes", Apr 2015, Nancy, France. pp.157
Conference papers
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Towards QSPR models for amphiphilic properties of sugar-based surfactants10. European Congress of Chemical Engineering (ECCE 10), Sep 2015, Nice, France. pp.723
Conference papers
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QSPR models as tools for predicting physico-chemical properties for REACH10. European Congress of Chemical Engineering (ECCE 10), Sep 2015, Nice, France. pp.1184
Conference papers
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Molecular modeling as a complement of experimental safety evaluation of products and processes10. European Congress of Chemical Engineering (ECCE 10), Sep 2015, Nice, France. pp.234
Conference papers
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On the use of QSPR models to predict the hazardous properties of liquid mixtures28. European Symposium on Applied Thermodynamics (ESAT 2015), Jun 2015, Athène, Greece
Conference papers
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Data analysis of sugar-based surfactant properties : towards quantitative structure property relationships10. World Surfactant Congress and Business Convention, Jun 2015, Istanbul, Turkey
Conference papers
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QSPR models for the prediction of physico-chemical hazards of substancesConférence internationale INRS "Le risque chimique : méthodes et techniques innovantes", Apr 2015, Nancy, France. pp.102
Conference papers
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Etude DFT des mécanismes d'incompatibilités chimiques impliquant le nitrate d'ammonium14. Rencontre des Chimistes Théoriciens Francophones (RCTF 2014), Jun 2014, Paris, France. pp.36
Conference papers
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Prediction of thermal stability of organic peroxides for REACH16. International Workshop on Quantitative Structure-Activity Relationship in Environmental and Health Sciences (QSAR 2014), Jun 2014, Milan, Italy. pp.63
Conference papers
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Theoretical approach to better understand industrial risks linked to the incompatibilities of ammonium nitrate10. Congress of the World Association of Theoretical and Computational Chemists (WATOC 2014), Oct 2014, Santiago, Chile
Conference papers
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Prédire les propriétés physico-chimiques dangereuses des substances chimiques à l'aide de modèles QSPR14. Rencontre des Chimistes Théoriciens Francophones (RCTF 2014), Jun 2014, Paris, France. pp.99
Conference papers
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Prediction of physico-chemical properties of amines based on QSPR models16. International Workshop on Quantitative Structure-Activity Relationship in Environmental and Health Sciences (QSAR 2014), Jun 2014, Milan, Italy. pp.121
Conference papers
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Détermination des propriétés comburantes des produits par DSC45. Journées de Calorimétrie et d'Analyse Thermique (JCAT 45), May 2014, Rouen, France
Conference papers
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Prediction of mixture properties based on QSPR models : the flash point of organic mixtures as a test case10. Congress of the World Association of Theoretical and Computational Chemists (WATOC 2014), Oct 2014, Santiago, Chile
Conference papers
ineris-01855594v1
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Prediction of hazardous physico-chemical properties of chemicals using QSPR models10. Congress of the World Association of Theoretical and Computational Chemists (WATOC 2014), Oct 2014, Santiago, Chile
Conference papers
ineris-01855595v1
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Prédiction des propriétés physico-chimiques dans le cadre du projet PREDIMOL14. Congrès de la Société Française de Génie des Procédés "Les sciences du génie des procédés pour une industrie durable" (SFGP 2013), Oct 2013, Lyon, France
Conference papers
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Prédiction des propriétés physico-chimiques dans le cadre du projet PREDIMOLCongrès annuel de la Société Française de Toxicologie "Les Nouvelles Approches en Evaluation du Risque : TTC, MOA, MOS, MOE, WOE, QSAR, et Read Across", Nov 2013, Paris, France
Conference papers
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Prediction of physico-chemical properties for REACH based on QSPR models14. International Symposium on Loss Prevention and Safety Promotion in the Process Industry, May 2013, Florence, Italy. pp.925-930, ⟨10.3303/CET1331155⟩
Conference papers
ineris-00976244v1
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Compréhension des mécanismes d'incompatibilité chimiques impliquant le nitrate d'ammonium par modélisation moléculaire14. Congrès de la Société Française de Génie des Procédés "Les sciences du génie des procédés pour une industrie durable" (SFGP 2013), Oct 2013, Lyon, France
Conference papers
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Predicting the physico-chemical properties of chemicals based on QSPR models9. European congress of chemical engineering (ECCE 9), Apr 2013, La Haye, Netherlands
Conference papers
ineris-00971124v1
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QSPR models for the prediction of explosive properties of nitro compounds39. International Pyrotechnics Seminar, May 2013, Valencia, Spain. pp.NC
Conference papers
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Influence d'antioxydants dans le mécanisme d'oxydation de l'éther éthylique : étude théorique et expérimentale14. Congrès de la Société Française de Génie des Procédés "Les sciences du génie des procédés pour une industrie durable" (SFGP 2013), Oct 2013, Lyon, France
Conference papers
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Prediction of thermal properties of organic peroxides using QSPR models6. Joint Sheffield Conference on Chemoinformatics, Jul 2013, Sheffield, United Kingdom
Conference papers
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Study of incompatibility of ammonium nitrate and its mechanism of decomposition by theoretical approach14. International Symposium on Loss Prevention and Safety Promotion in the Process Industry, May 2013, Florence, Italy. pp.823-828, ⟨10.3303/CET1331138⟩
Conference papers
ineris-00976243v1
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Global and local QSPR models to predict the impact sensitivity of nitro compoundsAIChE Spring Meeting 2012 & 8. Global Congress on Process Safety (GCPS), Apr 2012, Houston, United States. pp.NC
Conference papers
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A mechanistic and experimental study of the diethyl ether oxidationAIChE Spring Meeting 2012 & 8. Global Congress on Process Safety (GCPS), Apr 2012, Houston, United States. pp.NC
Conference papers
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Prediction of physico-chemical properties in the context of the French PREDIMOL project15. International Workshop on Quantitative Structure-Activity Relationships in Environmental and Health Sciences (QSAR 2012), Jun 2012, Tallinn, Estonia
Conference papers
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QSPR prediction of physico-chemical properties for REACH15. International Workshop on Quantitative Structure-Activity Relationships in Environmental and Health Sciences (QSAR 2012), Jun 2012, Tallinn, Estonia
Conference papers
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Prediction of the physico-chemical properties of nitroaromatic compounds using QSPR models14. Seminar on New Trends in Research of Energetic Materials (NTREM), Apr 2011, Pardubice, Czech Republic. pp.616-622
Conference papers
ineris-00970773v1
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Etude théorique et expérimentale de l'auto-oxydation de l'éther éthylique13. Congrès de la Société Française de Génie des Procédés "Des procédés au service du produit au coeur de l'Europe" (SFGP 2011), Nov 2011, Lille, France
Conference papers
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Prediction of impact sensivity of nitro energetic compounds using QSPR approaches14. Seminar on New Trends in Research of Energetic Materials (NTREM), Apr 2011, Pardubice, Czech Republic. pp.305-315
Conference papers
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A mechanistic and kinetic study of the DEE oxidation7. International conference on chemical kinetics, Jul 2011, Cambridge, United States
Conference papers
ineris-00970891v1
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QSPR prediction of impact sensitivity of nitro energetic compounds37. International Pyrotechnics seminar & 10. International GTPS seminar (EUROPYRO 2011), May 2011, Reims, France. pp.NC
Conference papers
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QSPR prediction of explosibility properties of chemical substances within the framework of REACH14. International Workshop on Quantitative Structure-Activity Relationships in Environmental and Health Sciences (QSAR 2010), May 2010, Montréal, Canada
Conference papers
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Development of a new QSPR based tool to predict explosibility properties of chemical substances within the framework of REACH and GHS13. International Symposium on Loss Prevention and Safety Promotion in the Process Industry, Jun 2010, Bruges, Belgium. pp.387-390
Conference papers
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Biodiesel : a case study of the impact of new rules regarding the classification and labelling of physical and chemical properties of chemicals13. International Symposium on Loss Prevention and Safety Promotion in the Process Industry, Jun 2010, Bruges, Belgium. pp.423-426
Conference papers
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Study of the peroxidation mechanism of diethyl ether (DEE)13. International Symposium on Loss Prevention and Safety Promotion in the Process Industry, Jun 2010, Bruges, Belgium. pp.327-333
Conference papers
ineris-00973569v1
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Predicting explosibility properties of chemical substances from a combined DFT-QSPR approach13. International Conference on the Applications of Density Functional Theory in Chemistry and Physics (DFT09), Aug 2009, Lyon, France
Conference papers
ineris-00970503v1
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Theoretical study of the peroxidation mechanism of diethyl ether (DEE)13. International Conference on the Applications of Density Functional Theory in Chemistry and Physics (DFT09), Aug 2009, Lyon, France
Conference papers
ineris-00970504v1
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Predicting explosibility properties of chemicals from quantitative structure-property relationshipsAIChE Spring Meeting 2009 & 5. Global Congress on Process Safety & 43. Loss Prevention Symposium, Apr 2009, Tampa, United States. pp.NC
Conference papers
ineris-00970447v1
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Development of predictive methods for screening explosibility properties of chemical substancesEOS Meeting 2008, May 2008, Stockholm, Sweden
Conference papers
ineris-00970336v1
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Quantitative structure-property relationship studies for predicting explosibility of nitroaromatic compounds35. International Pyrotechnics Seminar (IPS 2008), Jul 2008, Fort Collins, United States. pp.669-676
Conference papers
ineris-00970371v1
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Development of a QSPR method for the prediction of chemicals explosibilityACS National Meeting, Apr 2008, La Nouvelle-Orléans, United States
Conference papers
ineris-00970344v1
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La maîtrise des risques technologiques comme indicateur de développement durable des nouvelles filières énergétiques : une réflexion assise sur le cas des biocarburants1. Congrès International sur l'ingénierie des risques industriels (CIRI 2007), Dec 2007, Montréal, Canada. pp.433-455
Conference papers
ineris-00976202v1
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Biofuels for transport in the 21th century : why fire safety is a real issue11. International Conference fire and material, Jan 2007, San Francisco, United States. pp.NC
Conference papers
ineris-00976177v1
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Research at INERIS in the field of biofuels5. International Seminar on Fire and Explosion Hazards, Apr 2007, Edimbourg, United Kingdom
Conference papers
ineris-00970213v1
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How to use QSPR models to help the design and the safety of energetic materialsSHUKLA, M.; BODDU, V.M.; STEEVENS, J.; REDDY, D.; LESZCZYNSKI, J. Energetic Materials. From cradle to grave, Springer, pp.67-90, 2017, 9783319592060. ⟨10.1007/978-3-319-59208-4_3⟩
Book sections
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Utilisation de la modélisation moléculaire comme outil d’aide à l’évaluation des dangers physico-chimiques des substances dans le cadre du risque industrielIngénierie de l'environnement. UPMC Sorbonne Universités, 2016
Accreditation to supervise research
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