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Publikováno v:
International Journal of Quantum Chemistry. 107:2507-2518
The electronic structures of divalent molybdenum binuclear clusters with chelate ligands [Mo2(O2CH)4], [Mo2(O2CCH3)4], [Mo2(O2CCF3)4], [Mo2(O2CCFH2)4], [Mo2(O2CCOOH)4], and [Mo2(SO4)4]4− are calculated and interpreted using theory of density functi