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Physical Properties and Hydrogen-Bonding Network of Water–Ethanol Mixtures from Molecular Dynamics Simulations

The journal of physical chemistry. B, 2016-02, Vol.120 (4), p.793-802

2016

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Single-File Diffusion of Neo-Pentane Confined in the MIL-47(V) Metal–Organic Framework

Journal of physical chemistry. C, 2019-07, Vol.123 (28), p.17360-17367

2019

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Surface tension of water-alcohol mixtures from Monte Carlo simulations

The Journal of chemical physics, 2011-01, Vol.134 (4), p.044709-044709-10

2011

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Calculation of the surface tension and pressure components from a non-exponential perturbation method of the thermodynamic route

The Journal of chemical physics, 2012-01, Vol.136 (2), p.024104-024104-6

2012

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Hybrid Monte Carlo Simulations Combined with a Phase Mixture Model to Predict the Structural Transitions of a Porous Metal−Organic Framework Material upon Adsorption of Guest Molecules

Journal of physical chemistry. C, 2010-04, Vol.114 (14), p.6496-6502

2010

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Calculation of the surface tension from Monte Carlo simulations:Does the model impact on the finite-size effects?

The Journal of chemical physics, 2009-05, Vol.130 (18), p.184710-184710-13

2009

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Physics Behind the Guest-Assisted Structural Transitions of a Porous Metal−Organic Framework Material

The journal of physical chemistry letters, 2010-10, Vol.1 (19), p.2810-2815

2010

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Diffusion of Light Hydrocarbons in the Flexible MIL-53(Cr) Metal–Organic Framework: A Combination of Quasi-Elastic Neutron Scattering Experiments and Molecular Dynamics Simulations

Journal of physical chemistry. C, 2014-07, Vol.118 (26), p.14471-14477

2014

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Prediction of the Surface Tension of the Liquid−Vapor Interface of Alcohols from Monte Carlo Simulations

Journal of physical chemistry. C, 2011-05, Vol.115 (17), p.8670-8683

2011

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Monte Carlo calculation of the methane-water interfacial tension at high pressures

The Journal of chemical physics, 2009-09, Vol.131 (12), p.124707-124707

2009

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Microstructure of nonideal methanol binary liquid mixtures

Physical review. E, 2019-06, Vol.99 (6-1), p.062607-062607, Article 062607

2019

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Anomalous dielectric behavior of nanoconfined electrolytic solutions

Physical review letters, 2012-09, Vol.109 (10), p.107801-107801, Article 107801

2012

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Monte Carlo Simulations of the Pressure Dependence of the Water−Acid Gas Interfacial Tensions

The journal of physical chemistry. B, 2009-10, Vol.113 (43), p.14277-14290

2009

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Test-area surface tension calculation of the graphene-methane interface: Fluctuations and commensurability

The Journal of chemical physics, 2017-06, Vol.146 (21), p.214112-214112

2017

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Surface tension of water and acid gases from Monte Carlo simulations

The Journal of chemical physics, 2008-04, Vol.128 (15), p.154716-154716-16

2008

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Surface tension and long range corrections of cylindrical interfaces

The Journal of chemical physics, 2015-12, Vol.143 (23), p.234708-234708

2015

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Comparative Guest, Thermal, and Mechanical Breathing of the Porous Metal Organic Framework MIL-53(Cr): A Computational Exploration Supported by Experiments

Journal of physical chemistry. C, 2012-06, Vol.116 (24), p.13289-13295

2012

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Exploration of the Long-Chain N-Alkanes Adsorption and Diffusion in the MOF-Type MIL-47 (V) Material by Combining Experimental and Molecular Simulation Tools

Journal of physical chemistry. C, 2011-07, Vol.115 (28), p.13868-13876

2011

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Nanoconfined Electrolyte Solutions in Porous Hydrophilic Silica Membranes

Journal of physical chemistry. C, 2013-05, Vol.117 (21), p.11017-11027

2013

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Numerical evidence of heterogeneity and nanophases in a binary liquid confined at the nanoscale

Molecular simulation, 2018-06, Vol.44 (9), p.728-735

2018

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Communication: Slab thickness dependence of the surface tension: toward a criterion of liquid sheets stability

The Journal of chemical physics, 2014-08, Vol.141 (8), p.081103-081103

2014

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Molecular modeling of the liquid-vapor interfaces of a multi-component mixture: Prediction of the coexisting densities and surface tensions at different pressures and gas compositions

The Journal of chemical physics, 2013-07, Vol.139 (2), p.024701-024701

2013

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Calculation of the surface tension of pure tin from atomistic simulations of liquid-vapour systems

Molecular physics, 2014-10, Vol.112 (20), p.2654-2657

2014

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Is Fine-Grained Simulation Able to Propose New Polyelectrolyte Membranes?

Fuel cells (Weinheim an der Bergstrasse, Germany), 2016-12, Vol.16 (6), p.675-681

2016

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Adsorption of light hydrocarbons in the flexible MIL-53(Cr) and rigid MIL-47(V) metal-organic frameworks: a combination of molecular simulations and microcalorimetry/gravimetry measurements

Physical chemistry chemical physics : PCCP, 2010-01, Vol.12 (24), p.6428-6437

2010

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Physical Properties and Hydrogen-Bonding Network of Water–Ethanol Mixtures from Molecular Dynamics Simulations

Single-File Diffusion of Neo-Pentane Confined in the MIL-47(V) Metal–Organic Framework

Surface tension of water-alcohol mixtures from Monte Carlo simulations

Calculation of the surface tension and pressure components from a non-exponential perturbation method of the thermodynamic route

Hybrid Monte Carlo Simulations Combined with a Phase Mixture Model to Predict the Structural Transitions of a Porous Metal−Organic Framework Material upon Adsorption of Guest Molecules

Calculation of the surface tension from Monte Carlo simulations:Does the model impact on the finite-size effects?

Physics Behind the Guest-Assisted Structural Transitions of a Porous Metal−Organic Framework Material

Diffusion of Light Hydrocarbons in the Flexible MIL-53(Cr) Metal–Organic Framework: A Combination of Quasi-Elastic Neutron Scattering Experiments and Molecular Dynamics Simulations

Prediction of the Surface Tension of the Liquid−Vapor Interface of Alcohols from Monte Carlo Simulations

Monte Carlo calculation of the methane-water interfacial tension at high pressures

Microstructure of nonideal methanol binary liquid mixtures

Anomalous dielectric behavior of nanoconfined electrolytic solutions

Monte Carlo Simulations of the Pressure Dependence of the Water−Acid Gas Interfacial Tensions

Test-area surface tension calculation of the graphene-methane interface: Fluctuations and commensurability

Surface tension of water and acid gases from Monte Carlo simulations

Surface tension and long range corrections of cylindrical interfaces

Comparative Guest, Thermal, and Mechanical Breathing of the Porous Metal Organic Framework MIL-53(Cr): A Computational Exploration Supported by Experiments

Exploration of the Long-Chain N-Alkanes Adsorption and Diffusion in the MOF-Type MIL-47 (V) Material by Combining Experimental and Molecular Simulation Tools

Nanoconfined Electrolyte Solutions in Porous Hydrophilic Silica Membranes

Numerical evidence of heterogeneity and nanophases in a binary liquid confined at the nanoscale

Communication: Slab thickness dependence of the surface tension: toward a criterion of liquid sheets stability

Molecular modeling of the liquid-vapor interfaces of a multi-component mixture: Prediction of the coexisting densities and surface tensions at different pressures and gas compositions

Calculation of the surface tension of pure tin from atomistic simulations of liquid-vapour systems

Is Fine-Grained Simulation Able to Propose New Polyelectrolyte Membranes?

Adsorption of light hydrocarbons in the flexible MIL-53(Cr) and rigid MIL-47(V) metal-organic frameworks: a combination of molecular simulations and microcalorimetry/gravimetry measurements

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