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“…Moreover the following controllable parameters were selected:The formal charge on the nitrogen atom ( q ), as some metals such as scandium (Bychenkov et al 2008; Gladikova et al 2002) are extracted by PTE with the formation of chelates and the nitrogen atom inclusion to the chelate cycle. The value of q was calculated by the Milliken approach with the DFT (B3LYP) method, 6-21G basis set using the GAMESS-US (version September 7, 2006) program package.…”
Section: Methodsmentioning
confidence: 99%
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“…Moreover the following controllable parameters were selected:The formal charge on the nitrogen atom ( q ), as some metals such as scandium (Bychenkov et al 2008; Gladikova et al 2002) are extracted by PTE with the formation of chelates and the nitrogen atom inclusion to the chelate cycle. The value of q was calculated by the Milliken approach with the DFT (B3LYP) method, 6-21G basis set using the GAMESS-US (version September 7, 2006) program package.…”
Section: Methodsmentioning
confidence: 99%
“…According to (Gladikova et al 2002), in the course of scandium solvent extraction by the N-(2-hydroxy-5-nonylbenzil)-β,β-dihydroxyethylamine (NBEA) extractant the optimum pH is 4.5. However, in industrial products containing scandium there is a large amount of iron (III) as a rule (Korshunov et al 1987), and during the precipitation of iron hydroxide large losses of scandium take place due to co precipitation.…”
Section: Methodsmentioning
confidence: 99%
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