Using molecular simulation to characterise metal–organic frameworks for adsorption applications
Top Cited Papers
- 11 February 2009
- journal article
- review article
- Published by Royal Society of Chemistry (RSC) in Chemical Society Reviews
- Vol. 38 (5), 1237-1247
- https://doi.org/10.1039/b803498m
Abstract
Molecular simulation is a powerful tool to predict adsorption and to gain insight into the corresponding molecular level phenomena. In this tutorial review, we provide an overview of how molecular simulation can be used to characterise metal–organic frameworks for adsorption applications. Particular attention is drawn to how these insights can be combined to develop design principles for specific applications.This publication has 31 references indexed in Scilit:
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