| Optimization of the anisotropic united atoms intermolecular potential for n-alkanes P Ungerer, C Beauvais, J Delhommelle, A Boutin, B Rousseau, AH Fuchs The Journal of Chemical Physics 112 (12), 5499-5510, 2000 | 343 | 2000 |
| 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 | 161 | 2011 |
| Molecular simulation of the thermophysical properties of fluids: From understanding toward quantitative predictions P Ungerer, C Nieto-Draghi, B Rousseau, G Ahunbay, V Lachet Journal of Molecular Liquids 134 (1-3), 71-89, 2007 | 150 | 2007 |
| 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 | 149 | 2015 |
| Soret and mass diffusion measurements and molecular dynamics simulations of n-pentane–n-decane mixtures A Perronace, C Leppla, F Leroy, B Rousseau, S Wiegand The Journal of chemical physics 116 (9), 3718-3729, 2002 | 133 | 2002 |
| Self-diffusion of n-alkanes in silicalite using molecular dynamics simulation: A comparison between rigid and flexible frameworks F Leroy, B Rousseau, AH Fuchs Physical Chemistry Chemical Physics 6 (4), 775-783, 2004 | 123 | 2004 |
| Molecular simulations of the -alkane liquid-vapor interface: Interfacial properties and their long range corrections C Ibergay, A Ghoufi, F Goujon, P Ungerer, A Boutin, B Rousseau, ... Physical Review E—Statistical, Nonlinear, and Soft Matter Physics 75 (5 …, 2007 | 120 | 2007 |
| 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 | 114 | 2012 |
| Microscopic interpretation of a pure chemical contribution to the Soret effect PA Artola, B Rousseau Physical review letters 98 (12), 125901, 2007 | 95 | 2007 |
| Viscosity of the 1-ethyl-3-methylimidazolium bis (trifluoromethylsulfonyl) imide ionic liquid from equilibrium and nonequilibrium molecular dynamics NT Van-Oanh, C Houriez, B Rousseau Physical Chemistry Chemical Physics 12 (4), 930-936, 2010 | 92 | 2010 |
| Fluid transport properties by equilibrium molecular dynamics. III. Evaluation of united atom interaction potential models for pure alkanes DK Dysthe, AH Fuchs, B Rousseau The Journal of Chemical Physics 112 (17), 7581-7590, 2000 | 92 | 2000 |
| Monte Carlo versus molecular dynamics simulations in heterogeneous systems: An application to the n-pentane liquid-vapor interface F Goujon, P Malfreyt, JM Simon, A Boutin, B Rousseau, AH Fuchs The Journal of chemical physics 121 (24), 12559-12571, 2004 | 86 | 2004 |
| A Grand Canonical Monte Carlo study of argon adsorption/condensation in mesoporous silica glasses RJM Pellenq, B Rousseau, PE Levitz Physical Chemistry Chemical Physics 3 (7), 1207-1212, 2001 | 85 | 2001 |
| A new model for thermal diffusion: Kinetic approach PA Artola, B Rousseau, G Galliéro Journal of the American Chemical Society 130 (33), 10963-10969, 2008 | 81 | 2008 |
| Computing the Soret coefficient in aqueous mixtures using boundary driven nonequilibrium molecular dynamics C Nieto-Draghi, JB Ávalos, B Rousseau The Journal of chemical physics 122 (11), 2005 | 76 | 2005 |
| Onset of entanglements revisited. Dynamical analysis F Lahmar, C Tzoumanekas, DN Theodorou, B Rousseau Macromolecules 42 (19), 7485-7494, 2009 | 75 | 2009 |
| 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 | 71 | 2013 |
| Transport properties of dimethyl sulfoxide aqueous solutions C Nieto-Draghi, J Bonet Ávalos, B Rousseau The Journal of chemical physics 119 (9), 4782-4789, 2003 | 71 | 2003 |
| Influence of the adjustable parameters of the DPD on the global and local dynamics of a polymer melt F Lahmar, B Rousseau Polymer 48 (12), 3584-3592, 2007 | 70 | 2007 |
| Dissipative particle dynamics simulations of polymer melts. I. Building potential of mean force for polyethylene and cis-polybutadiene X Guerrault, B Rousseau, J Farago The Journal of chemical physics 121 (13), 6538-6546, 2004 | 70 | 2004 |
Alain H. FuchsUniversité PSL在 psl.eu 的电子邮件经过验证
