Theoretical modeling and molecular level insights into the corrosion inhibition activity of 2-amino-1,3,4-thiadiazole and its 5-alkyl derivatives

标题
Theoretical modeling and molecular level insights into the corrosion inhibition activity of 2-amino-1,3,4-thiadiazole and its 5-alkyl derivatives
作者
关键词
2-Amino-5-alkyl-1,3,4-thiadiazole, Corrosion inhibitors, DFT calculations, NBO analysis, Molecular dynamic simulation
出版物
JOURNAL OF MOLECULAR LIQUIDS
Volume 221, Issue -, Pages 579-602
出版商
Elsevier BV
发表日期
2016-06-19
DOI
10.1016/j.molliq.2016.06.011

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