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Molecular dynamics investigation of the disordered crystal structure of hexagonal LiBH4

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ISIS Facility, Rutherford Appleton Laboratory, Chilton, Oxfordshire, UK
Department of Chemistry, Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QR, UK
Scientific Computing Department, Rutherford Appleton Laboratory, Chilton, Oxfordshire, UK
Phys. Chem. Chem. Phys., 2013,15, 8081-8087

DOI: 10.1039/C3CP44520H
Received 14 Dec 2012, Accepted 29 Jan 2013
First published online 29 Jan 2013
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