Bernard Rousseau
Bernard Rousseau
CNRS
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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
2992000
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
1092002
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
1052007
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 75 (5), 051602, 2007
1042007
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
1022004
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
832004
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
822011
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
792001
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
752000
Microscopic interpretation of a pure chemical contribution to the Soret effect
PA Artola, B Rousseau
Physical review letters 98 (12), 125901, 2007
742007
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
692010
Onset of entanglements revisited. Dynamical analysis
F Lahmar, C Tzoumanekas, DN Theodorou, B Rousseau
Macromolecules 42 (19), 7485-7494, 2009
632009
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), 114503, 2005
582005
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
562008
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
552004
Melting of Lennard-Jones clusters in confined geometries
F Celestini, RJM Pellenq, P Bordarier, B Rousseau
Zeitschrift für Physik D Atoms, Molecules and Clusters 37 (1), 49-53, 1996
551996
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
532015
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
532003
Transfer coefficients for evaporation of a system with a Lennard-Jones long-range spline potential
J Ge, S Kjelstrup, D Bedeaux, JM Simon, B Rousseau
Physical Review E 75 (6), 061604, 2007
522007
Dynamic and structural behavior of different rigid nonpolarizable models of water
C Nieto-Draghi, J Bonet Avalos, B Rousseau
The Journal of chemical physics 118 (17), 7954-7964, 2003
522003
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Artículos 1–20