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Molecular Informatics|January 18, 2019
New QSPR Models to Predict the Flammability of Binary Liquid MixturesGuillaume Fayet, Patricia RotureauMolecular Informatics|December 7, 2020
Chemoinformatics for the Safety of Energetic and Reactive Materials at InerisGuillaume Fayet, Patricia RotureauPhysical Chemistry Chemical Physics : PCCP|February 27, 2014
Decomposition mechanisms of trinitroalkyl compounds: a theoretical study from aliphatic to aromatic nitro compoundsGuillaume Fayet, Patricia Rotureau, Benoit MinisiniACS Omega|March 24, 2020
Toward the Mechanistic Understanding of the Additives' Role on Ammonium Nitrate Decomposition: Calcium Carbonate and Calcium Sulfate as Case StudiesEleonora Menicacci, Patricia Rotureau, Guillaume Fayet, et al.Journal of Hazardous Materials|August 9, 2012
Development of validated QSPR models for impact sensitivity of nitroaliphatic compoundsVinca Prana, Guillaume Fayet, Patricia Rotureau, et al.Physical Chemistry Chemical Physics : PCCP|May 24, 2013
The ammonium nitrate and its mechanism of decomposition in the gas phase: a theoretical study and a DFT benchmarkStefania Cagnina, Patricia Rotureau, Guillaume Fayet, et al.Journal of Colloid and Interface Science|January 26, 2018
Investigating the impact of sugar-based surfactants structure on surface tension at critical micelle concentration with structure-property relationshipsThéophile Gaudin, Patricia Rotureau, Isabelle Pezron, et al.Journal of Hazardous Materials|July 21, 2009
On the prediction of thermal stability of nitroaromatic compounds using quantum chemical calculationsGuillaume Fayet, Patricia Rotureau, Laurent Joubert, et al.Journal of Molecular Modeling|December 22, 2010
Development of a QSPR model for predicting thermal stabilities of nitroaromatic compounds taking into account their decomposition mechanismsGuillaume Fayet, Patricia Rotureau, Laurent Joubert, et al.The Journal of Physical Chemistry. A|April 9, 2008
Theoretical study of the decomposition reactions in substituted nitrobenzenesGuillaume Fayet, Laurent Joubert, Patricia Rotureau, et al.Pageof 2