Browsing by Author "Yekeler, Hulya"
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A density functional study on the efficiencies of 2-mercaptobenzoxazole and its derivatives as chelating agents in flotation processes
Yekeler, Meftuni; Yekeler, Hulya (ELSEVIER SCIENCE BV, 2006)By using the density functional theory (DFT), we calculated some properties such as the energies of highest occupied molecular orbital (HOMO) orbitals and the atomic charges which are related to the reactive behavior of ...