A density functional theory investigation of the interaction of the tetraaqua calcium cation with bidentate carbonyl ligands
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DOI: 10.1007/s00894-017-3240-0
Abstract: AbstractCalcium complexes with bidentate carbonyl ligands are important in biological systems, medicine and industry, where the concentration of Ca2+ is controlled using chelating ligands. The exchange of two water molecules of [Ca(H2O)6]2+ for one bidentate… read more here.
Keywords: energy; carbonyl ligands; bidentate carbonyl; ligand ... See more keywords