| A general guidebook for the theoretical prediction of physicochemical properties of chemicals for regulatory purposes C Nieto-Draghi, G Fayet, B Creton, X Rozanska, P Rotureau, ... Chemical reviews 115 (24), 13093-13164, 2015 | 150 | 2015 |
| QSPR prediction of physico-chemical properties for REACH JC Dearden, P Rotureau, G Fayet SAR and QSAR in Environmental Research 24 (4), 279-318, 2013 | 70 | 2013 |
| Impact of the chemical structure on amphiphilic properties of sugar-based surfactants: A literature overview T Gaudin, H Lu, G Fayet, A Berthauld-Drelich, P Rotureau, G Pourceau, ... Advances in Colloid and Interface Science 270, 87-100, 2019 | 69 | 2019 |
| A Theoretical Study of the Decomposition Mechanisms in Substituted o-Nitrotoluenes G Fayet, L Joubert, P Rotureau, C Adamo The Journal of Physical Chemistry A 113 (48), 13621-13627, 2009 | 64 | 2009 |
| Mixture descriptors toward the development of quantitative structure–property relationship models for the flash points of organic mixtures T Gaudin, P Rotureau, G Fayet Industrial & Engineering Chemistry Research 54 (25), 6596-6604, 2015 | 61 | 2015 |
| Theoretical study of the decomposition reactions in substituted nitrobenzenes G Fayet, L Joubert, P Rotureau, C Adamo The Journal of Physical Chemistry A 112 (17), 4054-4059, 2008 | 59 | 2008 |
| Prediction of the thermal decomposition of organic peroxides by validated QSPR models V Prana, P Rotureau, G Fayet, D Andre, S Hub, P Vicot, L Rao, C Adamo Journal of hazardous materials 276, 216-224, 2014 | 55 | 2014 |
| The ammonium nitrate and its mechanism of decomposition in the gas phase: a theoretical study and a DFT benchmark S Cagnina, P Rotureau, G Fayet, C Adamo Physical Chemistry Chemical Physics 15 (26), 10849-10858, 2013 | 55 | 2013 |
| On the prediction of thermal stability of nitroaromatic compounds using quantum chemical calculations G Fayet, P Rotureau, L Joubert, C Adamo Journal of hazardous materials 171 (1-3), 845-850, 2009 | 51 | 2009 |
| On the use of descriptors arising from the conceptual density functional theory for the prediction of chemicals explosibility G Fayet, L Joubert, P Rotureau, C Adamo Chemical Physics Letters 467 (4-6), 407-411, 2009 | 46 | 2009 |
| Development of a QSPR model for predicting thermal stabilities of nitroaromatic compounds taking into account their decomposition mechanisms G Fayet, P Rotureau, L Joubert, C Adamo Journal of molecular modeling 17, 2443-2453, 2011 | 44 | 2011 |
| Evaluation of heats of combustion of ionic liquids through use of existing and purpose-built models AO Diallo, G Fayet, C Len, G Marlair Industrial & engineering chemistry research 51 (7), 3149-3156, 2012 | 42 | 2012 |
| Investigating the impact of sugar-based surfactants structure on surface tension at critical micelle concentration with structure-property relationships T Gaudin, P Rotureau, I Pezron, G Fayet Journal of colloid and interface science 516, 162-171, 2018 | 41 | 2018 |
| QSPR modeling of thermal stability of nitroaromatic compounds: DFT vs. AM1 calculated descriptors G Fayet, P Rotureau, L Joubert, C Adamo Journal of molecular modeling 16, 805-812, 2010 | 38 | 2010 |
| Development of simple QSPR models for the impact sensitivity of nitramines G Fayet, P Rotureau Journal of Loss Prevention in the Process Industries 30, 1-8, 2014 | 36 | 2014 |
| Development of validated QSPR models for impact sensitivity of nitroaliphatic compounds V Prana, G Fayet, P Rotureau, C Adamo Journal of hazardous materials 235, 169-177, 2012 | 36 | 2012 |
| New QSPR models to predict the critical micelle concentration of sugar-based surfactants T Gaudin, P Rotureau, I Pezron, G Fayet Industrial & Engineering Chemistry Research 55 (45), 11716-11726, 2016 | 34 | 2016 |
| Combining mixing rules with QSPR models for pure chemicals to predict the flash points of binary organic liquid mixtures T Gaudin, P Rotureau, G Fayet Fire safety journal 74, 61-70, 2015 | 32 | 2015 |
| Exposure assessment of Nanomaterials at production sites by a Short Time Sampling (STS) approach: Strategy and first results of measurement campaigns C Bressot, N Shandilya, T Jayabalan, G Fayet, M Voetz, L Meunier, ... Process Safety and Environmental Protection 116, 324-332, 2018 | 30 | 2018 |
| Excited-state properties from ground-state DFT descriptors: a QSPR approach for dyes G Fayet, D Jacquemin, V Wathelet, EA Perpete, P Rotureau, C Adamo Journal of Molecular Graphics and Modelling 28 (6), 465-471, 2010 | 29 | 2010 |
