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An international journal to further the chemical sciences
Impact Factor 3.84 Indexed in Web of Science
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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