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- W2076122372 abstract "Abstract During the last few decades, the oxygenated chelant complexes of the Gallium(III) ion have been utilised in biological and pharmaceutical fields, because of their remarkable therapeutical properties, especially for the clinical anti-cancer treatments. Main purpose of the present work is to investigate, from a theoretical and computational point of view, the thermodynamic, structural and electronic properties of the complexes and the complexation equilibria of the Ga(III) ion with two oxygenated chelant ligands (acetylacetone and 1,7-diphenyl-5-hydroxy-1,4,6-heptatrien-3-one), in vacuo. Comparisons with Literature experimental data are even discussed." @default.
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- W2076122372 date "2011-06-01" @default.
- W2076122372 modified "2023-09-26" @default.
- W2076122372 title "Structural, thermodynamic and electronic properties of Gallium(III) complexes with acetylacetone and Curcuminoidic core" @default.
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- W2076122372 doi "https://doi.org/10.1016/j.comptc.2011.02.016" @default.
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