Browsing by Author "Saracoglu, Murat"

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Quantum chemical and molecular dynamics simulation studies on inhibition performances of some thiazole and thiadiazole derivatives against corrosion of iron

Kaya, Savas; Kaya, Cemal; Guo, Lei; Kandemirli, Fatma; Tuzun, Burak; Ugurlu, Ilkay; Madkour, Loutfy H.; Saracoglu, Murat (ELSEVIER SCIENCE BV, 2016)

In the present study, to predict corrosion inhibition performances of 2-amino-4-(4-chlorophenyl)-thiazole (Inh1), 2-amino-4-(4-bromophenyl)-thiazole (Inh2), 4-(2-aminothiazole-4-yl)-phenol (Inh3), 5,5'-(ethane-1,2-diyldi ...
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 ...