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García-Pérez, E. (author), Serra-Crespo, P. (author), Hamad, S. (author), Kapteijn, F. (author), Gascon, J. (author)
Simulation of gas adsorption in flexible porous materials is still limited by the slow progress in the development of flexible force fields. Moreover, the high computational cost of such flexible force fields may be a drawback even when they are fully developed. In this work, molecular simulations of gas adsorption and diffusion of carbon...
journal article 2014