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Paper

Ab initio investigations on the crystal structure, formation enthalpy, electronic structure, chemical bonding, and optical properties of experimentally synthesized isoreticular metal–organic framework-10 and its analogues: M-IRMOF-10 (M = Zn, Cd, Be, Mg, Ca, Sr and Ba)

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Corresponding authors
a
Center of Theoretical and Computational Chemistry, Department of Chemistry, University of Oslo, P.O.Box 1033 Blindern, Norway
E-mail: mats.tilset@kjemi.uio.no, l.m.yang@kjemi.uio.no
Fax: +47 22855441
b
Center for Materials Science and Nanotechnology, Department of Chemistry, University of Oslo, P.O.Box 1033, Blindern, Norway
RSC Adv., 2012,2, 1618-1631

DOI: 10.1039/C1RA00187F
Received 20 May 2011, Accepted 31 Oct 2011
First published online 22 Dec 2011
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