Browsing by Author "Elusta, Mahmooud Ibrahim A."
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Quantum Chemical Studies on the Corrosion Inhibition of Fe78B13Si9 glassy alloy in Na2SO4 Solution of Some Thiosemicarbazone Derivatives
Saracoglu, Murat; Elusta, Mahmooud Ibrahim A.; Kaya, Savas; Kaya, Cemal; Kandemirli, Fatma (ESG, 2018)In this study, the density functional theory (DFT) at the gradient-corrected correlation functional of Lee-Yang-Parr (B3LYP) functional with 6-311++G(2d,2p), correlation-consistent, polarized valence, X-zeta (cc-pVTZ) basis ...