Browsing Faculty of Natural Sciences by Subject "DFT"
Now showing items 1-2 of 2
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Visible and IR photoluminescence of c-FeSi@a–Si core–shell nano-fibres produced by vapour transport
(Elsevier, 2013)The procedures for the synthesis of amorphous ε-FeSi/Sicore–shell nanofibres by vapour transport in a CVD configuration are reported. Crystallite studies by the Williamson-Hall method show the sizes to be typically about ... -
Zinc(II) complex of (Z)-4-((4-nitrophenyl)amino)pent-3-en-2-one, a potential antimicrobial agent: synthesis, characterization, antimicrobial screening, DFT calculation and docking study
(Bulletin of the Chemical Society of Ethiopia, 2023)Herein, the synthesis and characterizations of (Z)-4-((4-nitrophenyl)amino)pent-3-en-2-one (HL) ligand and its Zn(II) complex are reported. The compounds were characterized using elemental and thermogravimetric (TGA) ...