Citations (19)
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Patrice Malfreyt. (2014) Calculation of the surface tension of planar interfaces by molecular simulations: from Lennard-Jones fluids to binary mixtures. Molecular Simulation 40:1-3, pages 106-114.
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Gaëlle Filippini, Christine Bonal & Patrice Malfreyt. (2012) Methodological approaches for the free energy calculations in electroactive SAMs. Molecular Physics 110:11-12, pages 1081-1095.
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Articles from other publishers (17)
Alison N. Leonard, Andrew C. Simmonett, Frank C. PickardIVIV, Jing Huang, Richard M. Venable, Jeffery B. Klauda, Bernard R. Brooks & Richard W. Pastor. (2018) Comparison of Additive and Polarizable Models with Explicit Treatment of Long-Range Lennard-Jones Interactions Using Alkane Simulations. Journal of Chemical Theory and Computation 14:2, pages 948-958.
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G. Filippini, E. Bourasseau, A. Ghoufi, F. Goujon & P. Malfreyt. (2014) Communication: Slab thickness dependence of the surface tension: Toward a criterion of liquid sheets stability. The Journal of Chemical Physics 141:8.
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Jean-Claude Neyt, Aurélie Wender, Véronique Lachet, Aziz Ghoufi & Patrice Malfreyt. (2014) Quantitative Predictions of the Interfacial Tensions of Liquid–Liquid Interfaces through Atomistic and Coarse Grained Models. Journal of Chemical Theory and Computation 10:5, pages 1887-1899.
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Gaëlle Filippini, Florent Goujon, Christine Bonal & Patrice Malfreyt. (2014) Host–Guest Complexation in the Ferrocenyl Alkanethiols–Thio β-Cyclodextrin Mixed Self-Assembled Monolayers. The Journal of Physical Chemistry C 118:6, pages 3102-3109.
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J. C. Neyt, A. Wender, V. Lachet, A. Ghoufi & P. Malfreyt. (2013) 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 139:2.
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Emeric Bourasseau, Ahmed-Amine Homman, Olivier Durand, Aziz Ghoufi & Patrice Malfreyt. (2013) Calculation of the surface tension of liquid copper from atomistic Monte Carlo simulations. The European Physical Journal B 86:6.
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Gaëlle Filippini, Christine Bonal & Patrice Malfreyt. (2013) Atomistic and energetic descriptions of self-assembled monolayers of differently endgroup-functionalized alkanethiols adsorbed on the gold substrate by using molecular simulations. Soft Matter 9:20, pages 5099.
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Jean-Claude Neyt, Aurélie Wender, Véronique Lachet, Aziz Ghoufi & Patrice Malfreyt. (2013) Prediction of the concentration dependence of the surface tension and density of salt solutions: atomistic simulations using Drude oscillator polarizable and nonpolarizable models. Physical Chemistry Chemical Physics 15:28, pages 11679.
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Jean-Claude Neyt, Aurélie Wender, Véronique Lachet & Patrice Malfreyt. (2012)
Modeling the Pressure Dependence of Acid Gas +
n
-Alkane Interfacial Tensions Using Atomistic Monte Carlo Simulations.
. The Journal of Physical Chemistry C 116:19, pages 10563-10572.
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Gaelle Filippini, Yael Israeli, Florent Goujon, Benoit Limoges, Christine Bonal & Patrice Malfreyt. (2011) Free Energy Calculations in Electroactive Self-Assembled Monolayers (SAMs): Impact of the Chain Length on the Redox Reaction. The Journal of Physical Chemistry B 115:40, pages 11678-11687.
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Jean-Claude Neyt, Aurélie Wender, Véronique Lachet & Patrice Malfreyt. (2011)
Prediction of the Temperature Dependence of the Surface Tension Of SO
2
, N
2
, O
2
, and Ar by Monte Carlo Molecular Simulations
. The Journal of Physical Chemistry B 115:30, pages 9421-9430.
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F. Biscay, A. Ghoufi, V. Lachet & P. Malfreyt. (2011) Prediction of the Surface Tension of the Liquid−Vapor Interface of Alcohols from Monte Carlo Simulations. The Journal of Physical Chemistry C 115:17, pages 8670-8683.
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F. Biscay, A. Ghoufi & P. Malfreyt. (2011) Surface tension of water–alcohol mixtures from Monte Carlo simulations. The Journal of Chemical Physics 134:4.
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Gaëlle Filippini, Florent Goujon, Christine Bonal & Patrice Malfreyt. (2011) Environment effect on the redox properties of Self-Assembled Monolayers: a theoretical investigation of the nature of the supporting electrolyte. Soft Matter 7:19, pages 8961.
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Gaëlle Filippini, Florent Goujon, Christine Bonal & Patrice Malfreyt. (2010) Toward a Prediction of the Redox Properties of Electroactive SAMs: A Free Energy Calculation by Molecular Simulation. The Journal of Physical Chemistry B 114:40, pages 12897-12907.
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F. Goujon, C. Bonal, B. Limoges & P. Malfreyt. (2010) Molecular Dynamics Simulations of Ferrocene-Terminated Self-Assembled Monolayers. The Journal of Physical Chemistry B 114:19, pages 6447-6454.
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F. Biscay, A. Ghoufi, V. Lachet & P. Malfreyt. (2009) Monte Carlo calculation of the methane-water interfacial tension at high pressures. The Journal of Chemical Physics 131:12.
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