| 1 |
Realistic Coarse-Grain Model of cis-1,4-Polybutadiene: From Chemistry to Rheology
Kempfer K, Devemy J, Dequidt A, Couty M, Malfreyt P
Macromolecules, 52(7), 2736, 2019 |
| 2 |
Size-effects on the surface tension near the critical point: Monte Carlo simulations of the Lennard-Jones fluid
Goujon F, Ghoufi A, Malfreyt P
Chemical Physics Letters, 694, 60, 2018 |
| 3 |
Associations of Water-Soluble Macrocyclic Hosts with 4-Aminoazobenzene: Impact of pH
Gamier L, Sarraute S, Israeli Y, Bonal C, Malfreyt P
Journal of Physical Chemistry B, 122(50), 11953, 2018 |
| 4 |
Physical Properties and Hydrogen-Bonding Network of Water-Ethanol Mixtures from Molecular Dynamics Simulations
Ghoufi A, Artzner F, Malfreyt P
Journal of Physical Chemistry B, 120(4), 793, 2016 |
| 5 |
How does the electronic continuum model perform in the prediction of the surface tension of salt solutions?
Neyt JC, Wender A, Lachet V, Szymczyk A, Ghoufi A, Malfreyt P
Chemical Physics Letters, 595, 209, 2014 |
| 6 |
Bulk and Liquid-Vapor Interface of Pyrrolidinium-Based Ionic Liquids: A Molecular Simulation Study
Paredes X, Fernandez J, Padua AAH, Malfreyt P, Malberg F, Kirchner B, Pensado AS
Journal of Physical Chemistry B, 118(3), 731, 2014 |
| 7 |
Concentration Dependence of the Dielectric Permittivity, Structure, and Dynamics of Aqueous NaCl Solutions: Comparison between the Drude Oscillator and Electronic Continuum Models
Renou R, Ding MX, Zhu HC, Szyrnczyk A, Malfreyt P, Ghoufi A
Journal of Physical Chemistry B, 118(14), 3931, 2014 |
| 8 |
Using Molecular Simulation to Understand the Structure of [C(2)C(1)im](+)-Alkylsulfate Ionic Liquids: Bulk and Liquid-Vapor Interfaces
Paredes X, Fernandez J, Padua AAH, Malfreyt P, Malberg F, Kirchner B, Pensado AS
Journal of Physical Chemistry B, 116(48), 14159, 2012 |
| 9 |
Prediction of the Temperature Dependence of the Surface Tension Of SO2, N-2, O-2, and Ar by Monte Carlo Molecular Simulations
Neyt JC, Wender A, Lachet V, Malfreyt P
Journal of Physical Chemistry B, 115(30), 9421, 2011 |
| 10 |
A Transferable Force Field To Predict Phase Equilibria and Surface Tension of Ethers and Glycol Ethers
Ferrando N, Lachet V, Perez-Pellitero J, Mackie AD, Malfreyt P, Boutin A
Journal of Physical Chemistry B, 115(36), 10654, 2011 |
