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Anion-induced exchange interactions in binuclear complexes of Cu(II) with flexible hexadentate bispicolylamidrazone ligands Baryshnikov GV, Minaev BF, Baryshnikova AA, Agren H Chemical Physics Letters, 661, 48, 2016 |
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Effect of hydrogenation on the band gap of graphene nano-flakes Tachikawa H, Iyama T, Kawabata H Thin Solid Films, 554, 199, 2014 |
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Influence of the broken symmetry of defect state distribution at the a-Si:H/c-Si interface on the performance of hetero-junction solar cells Mikolasek M, Racko J, Harmatha L, Gaspierik P, Sutta P Applied Surface Science, 256(18), 5662, 2010 |
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Metal-metal bonding in M2Cl6(H2PCH2PH2)(2), M2Cl6(PH3)(4), and M2Cl104-(M = Cr, Mo, W) edge-shared dimer systems Stranger R, Lovell T, McGrady JE Inorganic Chemistry, 38(24), 5510, 1999 |
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Metal-metal bonding in d(1)d(1) and d(2)d(2) bioctahedral dimer systems: A density functional study of face-shared M2X93- (M = Ti, Zr, Hf, V, Nb, Ta) complexes Stranger R, McGrady JE, Lovell T Inorganic Chemistry, 37(26), 6795, 1998 |
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Density functional modeling of double exchange interactions in transition metal complexes. Calculation of the ground and excited state properties of [Fe-2(OH)(3)(tmtacn)(2)](2+) Barone V, Bencini A, Ciofini I, Daul CA, Totti F Journal of the American Chemical Society, 120(33), 8357, 1998 |
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Diversity in the Electronic-Structures of Metallocarbohedrenes - Ab-Initio Study of M(8)C(12) (M=ti, V, Zr, Nb) and Ti(4)M’(4)C(12) (M’=v, Zr) Benard M, Rohmer MM, Poblet JM, Bo C Journal of Physical Chemistry, 99(46), 16913, 1995 |