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Structure: Internal structure identifier : 300372

Investigation on the fire-induced hazards of Li-ion battery cells by fire calorimetry

Perrine Ribiere , Sylvie Grugeon , Mathieu Morcrette , Simeon Boyanov , Stéphane Laruelle , et al.
Energy & Environmental Science, 2011, 5, pp.5271. ⟨10.1039/c1ee02218k⟩
Journal articles hal-00806278v1
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A mechanistic and experimental study of the diethyl ether oxidation

Carlo Adamo , Patricia Rotureau , Stefania Di Tommaso , Wassila Benaissa , Peggy Gruez
AIChE Spring Meeting 2012 & 8. Global Congress on Process Safety (GCPS), Apr 2012, Houston, United States. pp.NC
Conference papers ineris-00976232v1
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On the prediction of thermal stability of nitroaromatic compounds using quantum chemical calculations

Guillaume Fayet , Patricia Rotureau , Laurent Joubert , Carlo Adamo
Journal of Hazardous Materials, 2009, 171 (1-3), pp.845-850. ⟨10.1016/j.jhazmat.2009.06.088⟩
Journal articles ineris-00961948v1

Oxidation mechanism of diethyl ether : a complex process for a simple molecule

Stefania Di Tommaso , Patricia Rotureau , Orlando Crescenzi , Carlo Adamo
Physical Chemistry Chemical Physics, 2011, 13 (32), pp.14636-14645. ⟨10.1039/c1cp21357a⟩
Journal articles ineris-00963321v1

Etude théorique et expérimentale de l'auto-oxydation de l'éther éthylique

Patricia Rotureau , Stefania Di Tommaso , Alexis Vignes , Wassila Benaissa , Carlo Adamo
13. 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 ineris-00970900v1

Prediction of physico-chemical properties in the context of the French PREDIMOL project

Patricia Rotureau , Guillaume Fayet , Vinca Prana , C. Nieto-Draghi , Carlo Adamo , et al.
15. International Workshop on Quantitative Structure-Activity Relationships in Environmental and Health Sciences (QSAR 2012), Jun 2012, Tallinn, Estonia
Conference papers ineris-00971007v1

Prediction of impact sensivity of nitro energetic compounds using QSPR approaches

Vinca Prana , Guillaume Fayet , Patricia Rotureau , Carlo Adamo
14. Seminar on New Trends in Research of Energetic Materials (NTREM), Apr 2011, Pardubice, Czech Republic. pp.305-315
Conference papers ineris-00970774v1

Development of a QSPR method for the prediction of chemicals explosibility

Guillaume Fayet , Patricia Rotureau , Laurent Joubert , Carlo Adamo
ACS National Meeting, Apr 2008, La Nouvelle-Orléans, United States
Conference papers ineris-00970344v1

Predicting the physico-chemical properties of chemicals based on QSPR models

Guillaume Fayet , Vinca Prana , Carlo Adamo , Patricia Rotureau
9. European congress of chemical engineering (ECCE 9), Apr 2013, La Haye, Netherlands
Conference papers ineris-00971124v1

Safety-focused analysis of solvents used in electrolytes for large scale lithium-ion batteries

Amandine Lecocq , Guy Marlair , Delphine Tigreat , Gebrekidan G. Eshetu , Stéphane Laruelle , et al.
Batteries 2013, Oct 2013, Nice, France
Conference papers ineris-00971197v1
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Predicting explosibility properties of chemicals from quantitative structure-property relationships

Guillaume Fayet , Patricia Rotureau , Laurent Joubert , Carlo Adamo
Process Safety Progress, 2010, 29 (4), pp.359-371. ⟨10.1002/prs.10379⟩
Journal articles ineris-00961753v1
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On the development of QSPR models for regulatory frameworks : The heat of decomposition of nitroaromatics as a test case

Guillaume Fayet , Patricia Rotureau , Carlo Adamo
Journal of Loss Prevention in the Process Industries, 2013, 26 (6), pp.1100-1105. ⟨10.1016/j.jlp.2013.04.008⟩
Journal articles ineris-00961813v1
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Humins in the environment: early stage insights on ecotoxicological aspects

Anitha Muralidhara , Anne Bado-Nilles , Guy Marlair , Victor Engelen , Christophe Len , et al.
Biofuels, Bioproducts & Biorefining, 2018, 13 (3), pp.464-470. ⟨10.1002/bbb.1964⟩
Journal articles ineris-02614295v1

A mechanistic and kinetic study of the DEE oxidation

Stefania Di Tommaso , Patricia Rotureau , B. Sirjean , P.A. Glaude , R. Fournet , et al.
7. International conference on chemical kinetics, Jul 2011, Cambridge, United States
Conference papers ineris-00970891v1

Epitaxial La 0.7 Sr 0.3 MnO 3 thin films grown on SrTiO 3 buffered silicon substrates by reactive molecular-beam epitaxy

L. Méchin , C. Adamo , S. Wu , B. Guillet , S. Lebargy , et al.
physica status solidi (a), 2012, 209 (6), pp.1090-1095. ⟨10.1002/pssa.201127712⟩
Journal articles istex hal-04184044v1

Predicting the thermal stability of nitroaromatic compounds using chemoinformatic tools

Guillaume Fayet , Alberto del Rio , Patricia Rotureau , Laurent Joubert , Carlo Adamo
Molecular Informatics, 2011, 30 (6-7), pp.623-634. ⟨10.1002/minf.201000077⟩
Journal articles istex ineris-00963310v1
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Toward the Mechanistic Understanding of the Additives' Role on Ammonium Nitrate Decomposition: Calcium Carbonate and Calcium Sulfate as Case Studies

Eleonora Menicacci , Patricia Rotureau , Guillaume Fayet , Carlo Adamo
ACS Omega, 2020, 5 (10), pp.5034-5040. ⟨10.1021/acsomega.9b03964⟩
Journal articles ineris-03318311v1

Quantitative structure-property relationship studies for predicting explosibility of nitroaromatic compounds

Guillaume Fayet , Patricia Rotureau , Laurent Joubert , Carlo Adamo
35. International Pyrotechnics Seminar (IPS 2008), Jul 2008, Fort Collins, United States. pp.669-676
Conference papers ineris-00970371v1
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Prediction of physico-chemical properties for REACH based on QSPR models

Guillaume Fayet , Patricia Rotureau , Vinca Prana , Carlo Adamo
14. 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

Compréhension des mécanismes d'incompatibilité chimiques impliquant le nitrate d'ammonium par modélisation moléculaire

Stefania Cagnina , Patricia Rotureau , Guillaume Fayet , Guy Marlair , Carlo Adamo
14. 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 ineris-00971256v1

A general guidebook for the theoretical prediction of physicochemical properties of chemicals for regulatory purposes

Carlos Nieto-Draghi , Guillaume Fayet , Benoît Creton , Xavier Rozanska , Patricia Rotureau , et al.
Chemical Reviews, 2015, 115 (24), pp.13093-13164. ⟨10.1021/acs.chemrev.5b00215⟩
Journal articles ineris-01855187v1

Advanced learning on Li-ion rechargeable battery safety from detailed examination of component / material behavior under thermal stress

Amandine Lecocq , Gebrekidan G. Eshetu , Philippe Goncalves , Guy Marlair , Delphine Schach , et al.
10. Annual Lithium Battery Power / 5. Annual Safety Battery 2014, Nov 2014, Washington, United States
Conference papers ineris-01852867v1
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Modeling chemical incompatibility : the ammonium nitrate and sodium salt of dichloroisocyanuric acid as a case study

Stefania Cagnina , Patricia Rotureau , Guillaume Fayet , Carlo Adamo
Industrial and engineering chemistry research, 2014, 53 (36), pp.13920-13927. ⟨10.1021/ie502154b⟩
Journal articles ineris-01863924v1

Theoretical and Experimental Study on the Inhibition of Diethyl Ether Oxidation

Stefania Di Tommaso , Patricia Rotureau , Wassila Benaissa , Peggy Gruez , Carlo Adamo
Energy & Fuels, 2014, 28 (4), pp.2821 - 2829. ⟨10.1021/ef402508s⟩
Journal articles ineris-01710187v1

Graphite electrode thermal behavior and solid electrolyte interphase investigations: Role of state-of-the-art binders, carbonate additives and lithium bis(fluorosulfonyl)imide salt

Coralie Forestier , Sylvie Grugeon , Carine Davoisne , Amandine Lecocq , Guy Marlair , et al.
Journal of Power Sources, 2016, 330, pp.186-194. ⟨10.1016/j.jpowsour.2016.09.005⟩
Journal articles hal-01363821v1

Manufactured nanoparticle detection using LIBS

Tanguy Amodeo , Christophe Dutouquet , Olivier Le Bihan , C. Masquelier , Michel Attoui , et al.
International Conference on Safe Production and Use of Nanomaterials (NANOSAFE 2008), Nov 2008, Grenoble, France
Conference papers ineris-00970410v1
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Étude théorique de la décomposition thermique du nitrate d'ammonium en présence d'additifs et de contaminants

Eleonora Menicacci
Chimie théorique et/ou physique. Université Paris sciences et lettres, 2019. Français. ⟨NNT : 2019PSLEC026⟩
Theses tel-03143138v1

QSPR modeling of thermal stability of nitroaromatic compounds : DFT vs AM1 calculated descriptors

Guillaume Fayet , Patricia Rotureau , Laurent Joubert , Carlo Adamo
Journal of Molecular Modeling, 2010, 16 (4), pp.805-812. ⟨10.1007/s00894-009-0634-7⟩
Journal articles istex ineris-00963224v1

n-3 long-chain fatty acids and regulation of glucose transport in two models of rat brain endothelial cells

Fabien Pifferi , Mélanie Jouin , Jean-Marc Alessandri , Françoise Roux , Nicolas Perriere , et al.
Neurochemistry International, 2010, 56 (5), pp.703-710. ⟨10.1016/j.neuint.2010.02.006⟩
Journal articles hal-02309763v1

Etude DFT des mécanismes d'incompatibilités chimiques impliquant le nitrate d'ammonium

Stefania Cagnina , Patricia Rotureau , Guillaume Fayet , Carlo Adamo
14. Rencontre des Chimistes Théoriciens Francophones (RCTF 2014), Jun 2014, Paris, France. pp.36
Conference papers ineris-01855631v1