Theoretical studies on the interaction of anionic collectors with Cu+, Cu2+, Zn2+ and Pb2+ ions
β Scribed by Mika Porento; Pipsa Hirva
- Publisher
- Springer
- Year
- 2002
- Tongue
- English
- Weight
- 140 KB
- Volume
- 107
- Category
- Article
- ISSN
- 1432-2234
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## Abstract The structure and energetics of complexes obtained upon interaction between cysteine and Zn^2+^, Cd^2+^, Hg^2+^ and Cu^2+^ cations were studied using quantum chemical density functional theory calculations with the 6β311++G\*\* orbital basis set and relativistic pseudopotentials for the
## Abstract The Cu^+^ and Cu^2+^ preferred binding sites on Ξ±βalanine and their affinity values for this amino acid were determined at the density functional level using three different hybrid exchange correlation potentials and the 6β311++G\*\* basis set. The results demonstrated that the two ions