Centro de Nanociencia y Tecnologías Sostenibles (CNATS)
Centro de investigación
Jorge
Gascón Sabaté
Publicacións nas que colabora con Jorge Gascón Sabaté (5)
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
2010
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