Browsing by Subject "DFT calculations"
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Article
Surface mechanism of the boron adsorption on alumina in aqueous solutions
(2013)The adsorption of boron (boric acid) from aqueous solutions on alumina has been investigated at pH 8.0, I = 0.1 M NaClO4, T = 22 ± 3°C, and under normal atmospheric conditions. The characterization of the adsorbed species ...
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Article
Synthesis, experimental and theoretical investigation of a new type nickel dithiolene complex
(2013)A new nickel complex with an extended multisulfur dithiolene ligand, [Ni(dmeodddt)2] (dmeodddt = 5,6-dimethoxy-5,6-dihydro-1,4-dithiine-2, 3-dithiolate), has been synthesized and characterized by IR, Raman, UV-Vis and NMR ...