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Journal of Materials Chemistry A

Materials for energy and sustainability

Paper

Simulations of hydrogen sorption in rht-MOF-1: identifying the binding sites through explicit polarization and quantum rotation calculations

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Corresponding authors
a
Department of Chemistry, University of South Florida, 4202 E. Fowler Ave., CHE205, Tampa, USA
E-mail: brian.b.space@gmail.com
b
Lawrence Livermore National Laboratory, 7000 East Ave., Livermore, USA
J. Mater. Chem. A, 2014,2, 2088-2100

DOI: 10.1039/C3TA14591C
Received 08 Nov 2013, Accepted 06 Dec 2013
First published online 11 Dec 2013
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Supplementary Info