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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)
Center for Materials Science and Nanotechnology, Department of Chemistry, University of Oslo, P.O.Box 1033, Blindern, Norway
RSC Adv., 2012,2, 1618-1631
Received 20 May 2011, Accepted 31 Oct 2011
First published online 22 Dec 2011
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