Publications dans lesquelles il/elle collabore avec Juan Manuel Castillo Sánchez (12)
2013
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Water adsorption in hydrophilic zeolites: Experiment and simulation
Physical Chemistry Chemical Physics, Vol. 15, Núm. 40, pp. 17374-17382
2012
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Influence of force field parameters on computed diffusion coefficients of CO 2 in LTA-type zeolite
Microporous and Mesoporous Materials, Vol. 158, pp. 64-76
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On the mechanism behind the instability of isoreticular metal-organic frameworks (IRMOFs) in humid environments
Chemistry - A European Journal, Vol. 18, Núm. 39, pp. 12260-12266
2011
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External surface adsorption on silicalite-1 zeolite studied by molecular simulation
Journal of Physical Chemistry C, Vol. 115, Núm. 31, pp. 15355-15360
2010
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Enantioselective adsorption characteristics of aluminum-substituted MFI zeolites
Chemistry of Materials, Vol. 22, Núm. 16, pp. 4591-4601
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Performance of chiral zeolites for enantiomeric separation revealed by molecular simulation
Journal of Physical Chemistry C, Vol. 114, Núm. 50, pp. 22207-22213
2009
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Evaluation of various water models for simulation of adsorption in hydrophobic zeolites
Molecular Simulation, Vol. 35, Núm. 12-13, pp. 1067-1076
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Identification of adsorption sites in Cu-BTC by experimentation and molecular simulation
Langmuir, Vol. 25, Núm. 3, pp. 1725-1731
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Molecular simulation study on the separation of xylene isomers in MIL-47 metal - Organic frameworks
Journal of Physical Chemistry C, Vol. 113, Núm. 49, pp. 20869-20874
2008
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Molecular simulations for adsorption and separation of natural gas in IRMOF-1 and Cu-BTC metal-organic frameworks
Physical Chemistry Chemical Physics, Vol. 10, Núm. 47, pp. 7085-7091
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Understanding water adsorption in Cu - BTC metal - organic frameworks
Journal of Physical Chemistry C, Vol. 112, Núm. 41, pp. 15934-15939
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Unraveling the argon adsorption processes in MFI-type zeolite
Journal of Physical Chemistry C, Vol. 112, Núm. 27, pp. 9976-9979