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Physical Chemistry Chemical Physics

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Paper

Investigation of structure and dynamics of the hydrated metal–organic framework MIL-53(Cr) using first-principles molecular dynamics

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Corresponding authors
a
CNRS-ENS-UPMC, Département de Chimie, École Normale Supérieure, 24 rue Lhomond, 75005 Paris, France
E-mail: volker.haigis@ens.fr
Tel: +33 1 44 32 33 38
b
CNRS & Chimie ParisTech, 11 rue Pierre et Marie Curie, 75005 Paris, France
Phys. Chem. Chem. Phys., 2013,15, 19049-19056

DOI: 10.1039/C3CP53126K
Received 24 Jul 2013, Accepted 11 Sep 2013
First published online 20 Sep 2013
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