Enhancement of Hydrogen Adsorption in Metal−Organic Frameworks by Mg 2+ Functionalization: A Multiscale Computational Study

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Bibliographic Details
Published in:Journal of physical chemistry. C 2010-10, Vol.114 (39), p.16855-16858
Main Authors: Stergiannakos, Taxiarchis, Tylianakis, Emmanuel, Klontzas, Emmanouel, Froudakis, George E.
Format: Article
Language:English
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ISSN:1932-7447
1932-7455
DOI:10.1021/jp107323p