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Structure of Ca(BD4)(2) beta-phase from combined neutron and synchrotron X-ray powder diffraction data and density functional calculations Buchter F, Lodziana Z, Rernhof A, Friedrichs O, Borgschulte A, Mauron P, Zuttel A, Sheptyakov D, Barkhordarian G, Bormann R, Chlopek K, Fichtner M, Sorby M, Riktor M, Hauback B, Orimo S Journal of Physical Chemistry B, 112(27), 8042, 2008 |
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Bis(alpha-diimine)nickel complexes: Molecular and electronic structure of three members of the electron-transfer series [Ni(L)(2)](z) (z=0, 1+, 2+) (L=2-phenyl-1,4-bis(isopropyl)-1,4-diazabutadiene). A combined experimental and theoretical study Muresan N, Chlopek K, Weyhermuller T, Neese F, Wieghardt K Inorganic Chemistry, 46(13), 5327, 2007 |
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Molecular and electronic structures of tetrahedral complexes of nickel and cobalt containing N,N'-disubstituted, bulky o-diiminobenzosemiquinonate(1-) pi-radical ligands Chlopek K, Bothe E, Neese F, Weyhermuller T, Wieghardt K Inorganic Chemistry, 45(16), 6298, 2006 |
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Electronic structure of mononuclear bis(1,2-diaryl-1,2-ethylenedithiolato)iron complexes containing a fifth cyanide or phosphite ligand: A combined experimental and computational study Patra AK, Bill E, Bothe E, Chlopek K, Neese F, Weyhermuller T, Stobie K, Ward MD, McCleverty JA, Wieghardt K Inorganic Chemistry, 45(19), 7877, 2006 |
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Electronic structure of bis(imino)pyridine iron dichloride, monochloride, and neutral ligand complexes: A combined structural, spectroscopic, and computational study Bart SC, Chlopek K, Bill E, Bouwkamp MW, Lobkovsky E, Neese F, Wieghardt K, Chirik PJ Journal of the American Chemical Society, 128(42), 13901, 2006 |
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Molecular and electronic structure of five-coordinate complexes of iron(II/III) containing o-diiminobenzosemiquinonate(1-) pi radical ligands Chlopek K, Bill E, Weyhermuller T, Wieghardt K Inorganic Chemistry, 44(20), 7087, 2005 |