Bernard Rousseau
Bernard Rousseau
CNRS
Verified email at u-psud.fr - Homepage
TitleCited byYear
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
2972000
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
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
1032004
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
1022007
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
812011
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
802001
Microscopic interpretation of a pure chemical contribution to the Soret effect
PA Artola, B Rousseau
Physical review letters 98 (12), 125901, 2007
732007
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
732000
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
682010
Onset of entanglements revisited. Dynamical analysis
F Lahmar, C Tzoumanekas, DN Theodorou, B Rousseau
Macromolecules 42 (19), 7485-7494, 2009
602009
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
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 new model for thermal diffusion: Kinetic approach
PA Artola, B Rousseau, G Galliéro
Journal of the American Chemical Society 130 (33), 10963-10969, 2008
542008
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
532007
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
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
522015
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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Articles 1–20