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Items for "Relativistic density functional theory"

Theoretical predictions of complex formation of group-4 elements Zr, Hf, and Rf in H2SO4 solutions

A process of step-wise complexation of group-4 elements Zr, Hf, and Rf in H2SO4 solutions has been considered theoretically...

Keywords: Zirconium, Hafnium, Rutherfordium, Complex formation, Relativistic density functional theory

08/2006 | Radiochimica Acta, Oldenbourg Wissenschaftsverlag