Philippe Ungerer
Affiliations: | 1999 | Universite Paris-Sud |
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| Ungerer P, Yiannourakou M, Mavromaras A, et al. (2019) Compositional Modeling of Crude Oils Using C10–C36 Properties Generated by Molecular Simulation Energy & Fuels. 33: 2967-2980 |
| Nieto-Draghi C, Fayet G, Creton B, et al. (2015) A General Guidebook for the Theoretical Prediction of Physicochemical Properties of Chemicals for Regulatory Purposes. Chemical Reviews |
| Rozanska X, Ungerer P, Leblanc B, et al. (2015) Automatic and systematic atomistic simulations in the medeaβ software environment: Application to EU-REACH | Simulations atomistiques automatiques et systématiques dans l’environnement logiciel de MedeA® : Application à EU-REACH Oil and Gas Science and Technology. 70: 405-417 |
| Ungerer P, Collell J, Yiannourakou M. (2015) Molecular Modeling of the Volumetric and Thermodynamic Properties of Kerogen: Influence of Organic Type and Maturity Energy & Fuels. 29: 91-105 |
| Collell J, Galliero G, Vermorel R, et al. (2015) Transport of Multicomponent Hydrocarbon Mixtures in Shale Organic Matter by Molecular Simulations Journal of Physical Chemistry C. 119: 22587-22595 |
| Rozanska X, Stewart JJP, Ungerer P, et al. (2014) High-throughput calculations of molecular properties in the MedeA environment: Accuracy of PM7 in predicting vibrational frequencies, ideal gas entropies, heat capacities, and gibbs free energies of organic molecules Journal of Chemical and Engineering Data. 59: 3136-3143 |
| Collell J, Ungerer P, Galliero G, et al. (2014) Molecular Simulation of Bulk Organic Matter in Type II Shales in the Middle of the Oil Formation Window Energy & Fuels. 28: 7457-7466 |
| Collell J, Galliero G, Gouth F, et al. (2014) Molecular simulation and modelisation of methane/ethane mixtures adsorption onto a microporous molecular model of kerogen under typical reservoir conditions Microporous and Mesoporous Materials. 197: 194-203 |
| Yiannourakou M, Ungerer P, Leblanc B, et al. (2013) Molecular Simulation of Adsorption in Microporous Materials Oil & Gas Science and Technology – Revue D’Ifp Energies Nouvelles. 68: 977-994 |
| Rozanska X, Ungerer P, Leblanc B, et al. (2013) Isotherms of Fluids in Native and Defective Zeolite and Alumino-Phosphate Crystals: Monte-Carlo Simulations with “On-the-Fly” ab initio Electrostatic Potential Oil & Gas Science and Technology – Revue D’Ifp Energies Nouvelles. 68: 299-307 |