Centro de Nanociencia y Tecnologías Sostenibles (CNATS)
Centro de investigación
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Delft University of Technology
Delft, HolandaPublicaciones en colaboración con investigadores/as de Delft University of Technology (10)
2021
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In silico screening of zeolites for high-pressure hydrogen drying
ACS Applied Materials and Interfaces, Vol. 13, Núm. 7, pp. 8383-8394
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Molecular Simulations of Adsorption and Diffusion in Crystalline Nanoporous Materials
Materials and Energy (World Scientific), pp. 199-319
2020
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Molecular simulations of adsorption and diffusion in crystalline nanoporous materials
Handbook Of Porous Materials: Synthesis, Properties, Modeling And Key Applications (In 4 Volumes) (World Scientific Publishing Co. Pte. Ltd.), pp. 199-319
2015
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Enantioselective adsorption in zeolites and metal-organic frameworks
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
2014
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Molecular simulation of gas adsorption and diffusion in a breathing MOF using a rigid force field
Physical Chemistry Chemical Physics, Vol. 16, Núm. 30, pp. 16060-16066
2013
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Toward a transferable set of charges to model zeolitic imidazolate frameworks: Combined experimental-theoretical research
Journal of Physical Chemistry C, Vol. 117, Núm. 1, pp. 466-471
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Understanding adsorption of highly polar vapors on mesoporous MIL-100(Cr) and MIL-101(Cr): Experiments and molecular simulations
Journal of Physical Chemistry C, Vol. 117, Núm. 15, pp. 7613-7622
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
2009
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Adsorption and diffusion of water, methanol, and ethanol in all-silica DD3R: Experiments and simulation
Journal of Physical Chemistry C, Vol. 113, Núm. 32, pp. 14290-14301
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Identification of adsorption sites in Cu-BTC by experimentation and molecular simulation
Langmuir, Vol. 25, Núm. 3, pp. 1725-1731