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

标题
Quantum chemical and molecular dynamics simulation studies on inhibition performances of some thiazole and thiadiazole derivatives against corrosion of iron
作者
关键词
Density functional theory, Molecular dynamics simulation, Corrosion, Thiazole, Thiadiazole, Iron
出版物
JOURNAL OF MOLECULAR LIQUIDS
Volume 219, Issue -, Pages 497-504
出版商
Elsevier BV
发表日期
2016-04-10
DOI
10.1016/j.molliq.2016.03.042

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