Toward understanding the anticorrosive mechanism of some thiourea derivatives for carbon steel corrosion: A combined DFT and molecular dynamics investigation - Guo, Lei; Kaya, Savaş; Obot, Ime Bassey; Zheng, Xingwen; Qiang, Yujie (Journal of colloid and interface science, 2017)
Keywords: adsorption; carbon; Carbon steel; corrosion; Corrosion inhibitor; density functional theory; DFT; energy; iron; Molecular dynamics; solvents; steel; temperature; thiourea; Thiourea derivative; Molecular dynamics; Carbon steel; DFT; Thiourea derivative; Corrosion inhibitor