A General Guidebook for the Theoretical Prediction of Physicochemical Properties of Chemicals for Regulatory Purposes
Nieto-Draghi, Carlos, Fayet, Guillaume, Creton, Benoit, Rozanska, Xavier, Rotureau, Patricia, de Hemptinne, Jean-Charles, Ungerer, Philippe, Rousseau, Bernard, Adamo, Carlo
Published in Chemical reviews (23.12.2015)
Published in Chemical reviews (23.12.2015)
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Journal Article
Development of validated QSPR models for impact sensitivity of nitroaliphatic compounds
Prana, Vinca, Fayet, Guillaume, Rotureau, Patricia, Adamo, Carlo
Published in Journal of hazardous materials (15.10.2012)
Published in Journal of hazardous materials (15.10.2012)
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Oxidation Mechanism of Aliphatic Ethers: Theoretical Insights on the Main Reaction Channels
Di Tommaso, Stefania, Rotureau, Patricia, Adamo, Carlo
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (13.09.2012)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (13.09.2012)
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Foaming behavior of sugar-based surfactants: influence of molecular structure and anticipation from surface properties
Bois, Rémy, Pezron, Isabelle, Rotureau, Patricia, Van Hecke, Elisabeth, Fayet, Guillaume, Nesterenko, Alla
Published in Journal of dispersion science and technology (19.04.2023)
Published in Journal of dispersion science and technology (19.04.2023)
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A Theoretical Study of the Decomposition Mechanisms in Substituted o-Nitrotoluenes
Fayet, Guillaume, Joubert, Laurent, Rotureau, Patricia, Adamo, Carlo
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.12.2009)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.12.2009)
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Prediction of the thermal decomposition of organic peroxides by validated QSPR models
Prana, Vinca, Rotureau, Patricia, Fayet, Guillaume, André, David, Hub, Serge, Vicot, Patricia, Rao, Li, Adamo, Carlo
Published in Journal of hazardous materials (15.07.2014)
Published in Journal of hazardous materials (15.07.2014)
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Reply to the comment on "Decomposition mechanisms of trinitroalkyl compounds: a theoretical study from aliphatic to aromatic nitro compounds" by G. Fayet, P. Rotureau, B. Minisini, Phys. Chem. Chem. Phys., 2014, 16, 6614
Fayet, Guillaume, Minisini, Benoit, Rotureau, Patricia
Published in Physical Chemistry Chemical Physics (21.04.2015)
Published in Physical Chemistry Chemical Physics (21.04.2015)
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Theoretical Study of the Decomposition Reactions in Substituted Nitrobenzenes
Fayet, Guillaume, Joubert, Laurent, Rotureau, Patricia, Adamo, Carlo
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01.05.2008)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01.05.2008)
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Development of Simple QSPR Models for the Prediction of the Heat of Decomposition of Organic Peroxides
Prana, Vinca, Rotureau, Patricia, André, David, Fayet, Guillaume, Adamo, Carlo
Published in Molecular informatics (01.10.2017)
Published in Molecular informatics (01.10.2017)
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