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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 MinisiniThe Journal of Physical Chemistry. A|July 18, 2012
Oxidation mechanism of aliphatic ethers: theoretical insights on the main reaction channelsStefania Di Tommaso, Patricia Rotureau, Carlo AdamoACS 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 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.Journal of Molecular Modeling|January 6, 2010
QSPR modeling of thermal stability of nitroaromatic compounds: DFT vs. AM1 calculated descriptorsGuillaume Fayet, Patricia Rotureau, Laurent Joubert, et al.Pageof 2