Bernard Rousseau
Affiliations: | 1984-1987 | Université Paris-Sud XI, Orsay, Essonne, France |
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| Belin B, Yiannourakou M, Lachet V, et al. (2022) Modeling Method for Semicrystalline Polymers Controlling Aspects of the Morphology at the Molecular Scale for the Study of Mechanical and Physicochemical Properties. The Journal of Physical Chemistry. B |
| Fauve R, Coquelet C, Houriez C, et al. (2019) Corrigendum and Comments to “Vapor-liquid equilibrium and molecular simulation data for carbon dioxide (CO2) + trans-1,3,3,3-tetrafluoroprop-1-ene (R-1234ze(E)) mixture at temperatures from 283.32 to 353.02 K and pressures up to 7.6 MPa” [Int. J. Refrig. 98 (2019) 362–371] International Journal of Refrigeration-Revue Internationale Du Froid. 104: 386-389 |
| Wang S, Fauve R, Coquelet C, et al. (2019) Vapor–liquid equilibrium and molecular simulation data for carbon dioxide (CO2) + trans-1,3,3,3-tetrafluoroprop-1-ene (R-1234ze(E)) mixture at temperatures from 283.32 to 353.02 K and pressures up to 7.6 MPa International Journal of Refrigeration-Revue Internationale Du Froid. 98: 362-371 |
| Yiannourakou M, Ungerer P, Lachet V, et al. (2019) United atom forcefield for vapor-liquid equilibrium (VLE) properties of cyclic and polycyclic compounds from Monte Carlo simulations Fluid Phase Equilibria. 481: 28-43 |
| Roguet E, Akhan K, Brusselle-Dupend N, et al. (2019) Investigation of the 3D crystalline network impact on the elastic properties of Semi-Crystalline Polymers from a multi-scale modelling approach Computational Materials Science. 167: 77-84 |
| Steinmetz D, Creton B, Lachet V, et al. (2018) Simulations of interfacial tension of liquid-liquid ternary mixtures using optimized parameterization for coarse-grained models. Journal of Chemical Theory and Computation |
| Couallier E, Riaublanc A, David Briand E, et al. (2018) Molecular simulation of the water-triolein-oleic acid mixture: Local structure and thermodynamic properties. The Journal of Chemical Physics. 148: 184702 |
| Lemarchand CA, Couty M, Rousseau B. (2017) Coarse-grained simulations of cis- and trans-polybutadiene: A bottom-up approach. The Journal of Chemical Physics. 146: 074904 |
| Clavier G, Desbiens N, Bourasseau E, et al. (2017) Computation of elastic constants of solids using molecular simulation: comparison of constant volume and constant pressure ensemble methods Molecular Simulation. 43: 1413-1422 |
| 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 |