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Benoit Creton
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Flash point and cetane number predictions for fuel compounds using quantitative structure property relationship (QSPR) methods
DA Saldana, L Starck, P Mougin, B Rousseau, L Pidol, N Jeuland, ...
Energy & Fuels 25 (9), 3900-3908, 2011
1562011
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
1482015
Prediction of density and viscosity of biofuel compounds using machine learning methods
DA Saldana, L Starck, P Mougin, B Rousseau, N Ferrando, B Creton
Energy & fuels 26 (4), 2416-2426, 2012
1122012
Prediction of the cetane number of diesel compounds using the quantitative structure property relationship
B Creton, C Dartiguelongue, T de Bruin, H Toulhoat
Energy & Fuels 24 (10), 5396-5403, 2010
1032010
Prediction of flash points for fuel mixtures using machine learning and a novel equation
DA Saldana, L Starck, P Mougin, B Rousseau, B Creton
Energy & fuels 27 (7), 3811-3820, 2013
702013
Molecular dynamics study of hydrated imogolite 2. Structure and dynamics of confined water
B Creton, D Bougeard, KS Smirnov, J Guilment, O Poncelet
Physical Chemistry Chemical Physics 10 (32), 4879-4888, 2008
612008
Prediction of surfactants’ properties using multiscale molecular modeling tools: A review
B Creton, C Nieto-Draghi, N Pannacci
Oil & Gas Science and Technology–Revue d’IFP Energies nouvelles 67 (6), 969-982, 2012
552012
Prediction of thermodynamic properties of adsorbed gases in zeolitic imidazolate frameworks
H Amrouche, B Creton, F Siperstein, C Nieto-Draghi
RSC advances 2 (14), 6028-6035, 2012
542012
Composition analysis and viscosity prediction of complex fuel mixtures using a molecular-based approach
M Aquing, F Ciotta, B Creton, C Féjean, A Pina, C Dartiguelongue, ...
Energy & fuels 26 (4), 2220-2230, 2012
522012
On the rational formulation of alternative fuels: melting point and net heat of combustion predictions for fuel compounds using machine learning methods
DA Saldana, L Starck, P Mougin, B Rousseau, B Creton
SAR and QSAR in Environmental Research 24 (4), 259-277, 2013
462013
Structural model and computer modeling study of allophane
B Creton, D Bougeard, KS Smirnov, J Guilment, O Poncelet
The Journal of Physical Chemistry C 112 (2), 358-364, 2008
462008
Inverse‐QSPR for de novo Design: A Review
P Gantzer, B Creton, C Nieto‐Draghi
Molecular informatics 39 (4), 1900087, 2020
402020
Equilibrium and transport properties of CO2+ N2O and CO2+ NO mixtures: Molecular simulation and equation of state modelling study
V Lachet, B Creton, T De Bruin, E Bourasseau, N Desbiens, ...
Fluid phase equilibria 322, 66-78, 2012
392012
Molecular dynamics study of hydrated imogolite. 1. Vibrational dynamics of the nanotube
B Creton, D Bougeard, KS Smirnov, J Guilment, O Poncelet
The Journal of Physical Chemistry C 112 (27), 10013-10020, 2008
362008
Phase equilibrium of CCS mixtures: Equation of state modeling and Monte Carlo simulation
X Xu, R Privat, JN Jaubert, V Lachet, B Creton
The Journal of Supercritical Fluids 119, 169-202, 2017
342017
Impact of functionalized linkers on the energy landscape of ZIFs
R Galvelis, B Slater, R Chaudret, B Creton, C Nieto-Draghi, ...
CrystEngComm 15 (45), 9603-9612, 2013
342013
Thermodynamic study of binary systems containing sulphur dioxide: Measurements and molecular modelling
E El Ahmar, B Creton, A Valtz, C Coquelet, V Lachet, D Richon, P Ungerer
Fluid Phase Equilibria 304 (1-2), 21-34, 2011
342011
GC-PPC-SAFT equation of state for VLE and LLE of hydrocarbons and oxygenated compounds. Sensitivity analysis
TB Nguyen, JC De Hemptinne, B Creton, GM Kontogeorgis
Industrial & Engineering Chemistry Research 52 (21), 7014-7029, 2013
332013
Interfacial tension in oil–water–surfactant systems: On the role of intra-molecular forces on interfacial tension values using DPD simulations
E Deguillard, N Pannacci, B Creton, B Rousseau
The Journal of Chemical Physics 138 (14), 2013
332013
Optimisation of the dynamical behaviour of the anisotropic united atom model of branched alkanes: application to the molecular simulation of fuel gasoline
C Nieto-Draghi, A Bocahut, B Creton, P Have, A Ghoufi, A Wender, ...
Molecular Simulation 34 (2), 211-230, 2008
322008
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