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Paper

Large-scale screening of metal hydrides for hydrogen storage from first-principles calculations based on equilibrium reaction thermodynamics

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a
School of Chemical and Biomolecular Engineering, Georgia Institute of Technology, 311 Ferst Dr, Atlanta, USA
E-mail: david.sholl@chbe.gatech.edu
b
Department of Chemical and Petroleum Engineering, University of Pittsburgh, Pittsburgh, USA
Phys. Chem. Chem. Phys., 2011,13, 7218-7229

DOI: 10.1039/C0CP02950E
Received 22 Dec 2010, Accepted 15 Feb 2011
First published online 14 Mar 2011
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