Publications

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2014
Villemot F, Galarneau A, Coasne BA.  2014.  Adsorption-based characterization of hierarchical metal–organic frameworks. Adsorption. 20:349-357.
Barboiu M, Le Duc Y, Gilles A, Cazade P-A, Michau M, Legrand Y-M, Van Der Lee A, Coasne BA, Parvizi P, Post J et al..  2014.  An artificial primitive mimic of the Gramicidin-A channel. Nature Communications. 5
Barboiu M, Le Duc Y, Gilles A, Cazade P-A, Michau M, Legrand Y-M, Van Der Lee A, Coasne BA, Parvizi P, Post J et al..  2014.  An artificial primitive mimic of the Gramicidin-A channel. Nature Communications. 5
Hantal G, Brochard L, Laubie H, Ebrahimi D, Pellenq RJean-Marc, Ulm F-J, Coasne BA.  2014.  Atomic-scale modelling of elastic and failure properties of clays. Molecular Physics. 112(9-10):1294-1305.
Manga ED, Blasco H, Da-Costa J. P, Drobek M, Ayral A, Le Clezio E, Despaux G, Coasne BA, Julbe A.  2014.  Effect of Gas Adsorption on Acoustic Wave Propagation in MFI Zeolite Membrane Materials: Experiment and Molecular Simulation. Langmuir. 30(34):10336-10343.
Falk KI, Coasne BA, Pellenq RJean-Marc.  2014.  Effect of temperature on adsorption of mixtures in porous materials. Molecular Simulation. 40(1-3 Special Issue: SI):45-51.
Carrier B, Vandamme M, Pellenq RJean-Marc, Van Damme H.  2014.  Elastic Properties of Swelling Clay Particles at Finite Temperature upon Hydration. Journal of Physical Chemistry C. 118(17):8933-8943.
Clauzier S, Ho LNgoc, Pera-Titus M., Farrusseng D, Coasne BA.  2014.  Enhanced H-2 Uptake of n-Alkanes Confined in Mesoporous Materials. Journal of Physical Chemistry C . 118(20):10720-10727.
Clauzier S, Ho LNgoc, Pera-Titus M., Farrusseng D, Coasne BA.  2014.  Enhanced H-2 Uptake of n-Alkanes Confined in Mesoporous Materials. Journal of Physical Chemistry C . 118(20):10720-10727.
Ori G, Villemot F, Viau L, Vioux A, Coasne BA.  2014.  Ionic liquid confined in silica nanopores: molecular dynamics in the isobaric-isothermal ensemble. Molecular Physics. 112:1350-1361.
Cortes-Huerto R, Sondon T., Saùl A.  2014.  Molecular dynamics simulations of the formation of 1D spin-valves from stretched Au-Co and Pt-Co nanowires. J. Phys.: Condens. Matter. 26(Special issue: Break junctions)
Benedict L.X, Driver K.P, Hamel S., Militzer B., Qi T., Correa AA, Saùl A, Schwegler E..  2014.  Multiphase equation of state for carbon addressing high pressures and temperatures. Phys Rev. B. 89
Coasne BA, Weigel C, Polian A, Kint M, Rouquette J, Haines J, Foret M, Vacher R, Ruffle B.  2014.  Poroelastic Theory Applied to the Adsorption-Induced Deformation of Vitreous Silica. The Journal of Physical Chemistry B. 118(49):14519-14525.
Coasne BA, Long Y, Gubbins KE.  2014.  Pressure effects in confined nanophases. Molecular Simulation. 40(7-9):721-730.
Deliere L, Topin S, Coasne BA, Fontaine J-P, De Vito S, Auwer CDen, Solari PLorenzo, Daniel C, Schuurman Y, Farrusseng D.  2014.  Role of Silver Nanoparticles in Enhanced Xenon Adsorption Using Silver-Loaded Zeolites. Journal of Physical Chemistry C . 118(43):25032-25040.
Cazade P-A, Hartkamp R, Coasne BA.  2014.  Structure and Dynamics of an Electrolyte Confined in Charged Nanopores. The Journal of Physical Chemistry C. 118(10):5061–5072.
Cazade P-A, Hartkamp R, Coasne BA.  2014.  Structure and Dynamics of an Electrolyte Confined in Charged Nanopores. The Journal of Physical Chemistry C. 118(10):5061–5072.
Hartkamp R, Coasne BA.  2014.  Structure and transport of aqueous electrolytes: From simple halides to radionuclide ions. Journal of Chemical Physics. 141:124508.
Canivet J, Bonnefoy J, Daniel C, Legrand A, Coasne BA, Farrusseng D.  2014.  Structure-property relationships of water adsorption in metal-organic frameworks. New Journal of Chemistry. 38:3102-3111.
Canivet J, Bonnefoy J, Daniel C, Legrand A, Coasne BA, Farrusseng D.  2014.  Structure-property relationships of water adsorption in metal-organic frameworks. New Journal of Chemistry. 38:3102-3111.
Hantal G, Brochard L, M Cordeiro NDias Soeir, Ulm F-J, Pellenq RJean-Marc.  2014.  Surface Chemistry and Atomic-Scale Reconstruction of Kerogen-Silica Composites. The Journal of Physical Chemistry C. 118(5):2429-2438.
Ori G, Massobrio C, Bouzid A., Boero M., Coasne BA.  2014.  Surface of glassy GeS2: A model based on a first-principles approach. Physical Review B. 90
Tourne-Peteilh C, Coasne BA, In M, Brevet D, Devoisselle J-M, Vioux A, Viau L.  2014.  Surfactant Behavior of Ionic Liquids Involving a Drug: From Molecular Interactions to Self-Assembly. Langmuir. 30(5):1229-1238.
Galarneau A, Villemot F, Rodriguez J, Fajula F, Coasne BA.  2014.  Validity of the t-plot Method to Assess Microporosity in Hierarchical Micro/Mesoporous Materials. Langmuir. 30(44):13266-13274.
Canivet J, Fateeva A, Guo Y, Coasne BA, Farrusseng D.  2014.  Water adsorption in MOFs: fundamentals and applications. Chemical Society Reviews. 43:5594-5617.

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