Lista de obras - Bernard Rousseau - Dominio Público Uruguay

A General Guidebook for the Theoretical Prediction of Physicochemical Properties of Chemicals for Regulatory Purposes.

artículo científico publicado en 2015

A new model for thermal diffusion: kinetic approach.

artículo científico publicado en 2008

Classical force field for hydrofluorocarbon molecular simulations. Application to the study of gas solubility in poly(vinylidene fluoride)

artículo científico publicado en 2014

Coarse-grained simulations of cis- and trans-polybutadiene: A bottom-up approach

artículo científico publicado en 2017

Competition reactions of H2O•+ radical in concentrated Cl- aqueous solutions: picosecond pulse radiolysis study

scientific article published on 14 November 2012

Computing the Soret coefficient in aqueous mixtures using boundary driven nonequilibrium molecular dynamics.

artículo científico publicado en 2005

Conservative and dissipative force field for simulation of coarse-grained alkane molecules: a bottom-up approach

artículo científico publicado en 2014

Dissipative particle dynamics simulations of polymer melts. I. Building potential of mean force for polyethylene and cis-polybutadiene

artículo científico publicado en 2004

Interfacial tension in oil-water-surfactant systems: on the role of intra-molecular forces on interfacial tension values using DPD simulations

artículo científico publicado en 2013

Isotopic Soret effect in ternary mixtures: Theoretical predictions and molecular simulations

artículo científico publicado en 2015

Limit of miscibility and nanophase separation in associated mixtures.

artículo científico publicado en 2013

Microscopic interpretation of a pure chemical contribution to the Soret effect

artículo científico publicado en 2007

Molecular simulation of the water-triolein-oleic acid mixture: Local structure and thermodynamic properties

scientific article published on 01 May 2018

Molecular simulations of the n -alkane liquid-vapor interface: interfacial properties and their long range corrections.

artículo científico publicado en 2007

Monte Carlo versus molecular dynamics simulations in heterogeneous systems: an application to the n-pentane liquid-vapor interface

artículo científico publicado en 2004

On a variational approach to the Soret coefficient

scientific article published on 01 October 2006

On the rational formulation of alternative fuels: melting point and net heat of combustion predictions for fuel compounds using machine learning methods.

artículo científico publicado en 2013

Optimization of the anisotropic united atoms intermolecular potential for n-alkanes: improvement of transport properties

scientific article published on 01 July 2006

Optimization of the anisotropic united atoms intermolecular potential forn-alkanes

Parameterization of a mesoscopic model for the self-assembly of linear sodium alkyl sulfates

artículo científico publicado en 2014

Preventing iron(ii) precipitation in aqueous systems using polyacrylic acid: some molecular insights

scientific article published on 01 July 2018

Simulations of Interfacial Tension of Liquid-Liquid Ternary Mixtures Using Optimized Parametrization for Coarse-Grained Models

scientific article published on 05 July 2018

Soret coefficient for liquid argon-krypton mixtures via equilibrium and nonequilibrium molecular dynamics: a comparison with experiments

artículo científico publicado en 2002

Thermodiffusion in multicomponent n-alkane mixtures.

artículo científico publicado en 2017

Viscosity of the 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquid from equilibrium and nonequilibrium molecular dynamics

artículo científico publicado en 2009

Lista de obras de Bernard Rousseau

A General Guidebook for the Theoretical Prediction of Physicochemical Properties of Chemicals for Regulatory Purposes.

A new model for thermal diffusion: kinetic approach.

Classical force field for hydrofluorocarbon molecular simulations. Application to the study of gas solubility in poly(vinylidene fluoride)

Coarse-grained simulations of cis- and trans-polybutadiene: A bottom-up approach

Competition reactions of H2O•+ radical in concentrated Cl- aqueous solutions: picosecond pulse radiolysis study

Computing the Soret coefficient in aqueous mixtures using boundary driven nonequilibrium molecular dynamics.

Conservative and dissipative force field for simulation of coarse-grained alkane molecules: a bottom-up approach

Dissipative particle dynamics simulations of polymer melts. I. Building potential of mean force for polyethylene and cis-polybutadiene

Interfacial tension in oil-water-surfactant systems: on the role of intra-molecular forces on interfacial tension values using DPD simulations

Isotopic Soret effect in ternary mixtures: Theoretical predictions and molecular simulations

Limit of miscibility and nanophase separation in associated mixtures.

Microscopic interpretation of a pure chemical contribution to the Soret effect

Molecular simulation of the water-triolein-oleic acid mixture: Local structure and thermodynamic properties

Molecular simulations of the n -alkane liquid-vapor interface: interfacial properties and their long range corrections.

Monte Carlo versus molecular dynamics simulations in heterogeneous systems: an application to the n-pentane liquid-vapor interface

On a variational approach to the Soret coefficient

On the rational formulation of alternative fuels: melting point and net heat of combustion predictions for fuel compounds using machine learning methods.

Optimization of the anisotropic united atoms intermolecular potential for n-alkanes: improvement of transport properties

Optimization of the anisotropic united atoms intermolecular potential forn-alkanes

Parameterization of a mesoscopic model for the self-assembly of linear sodium alkyl sulfates

Preventing iron(ii) precipitation in aqueous systems using polyacrylic acid: some molecular insights

Simulations of Interfacial Tension of Liquid-Liquid Ternary Mixtures Using Optimized Parametrization for Coarse-Grained Models

Soret coefficient for liquid argon-krypton mixtures via equilibrium and nonequilibrium molecular dynamics: a comparison with experiments

Thermodiffusion in multicomponent n-alkane mixtures.

Viscosity of the 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquid from equilibrium and nonequilibrium molecular dynamics