DFT Theoretical Study of 5-(4-R-Phenyl)-1H-tetrazole (R = H; OCH3; CH3; Cl) as Corrosion Inhibitors for Mild Steel in Hydrochloric Acid

被引:0
作者
A. A. El Hassani
Z. El Adnani
A. T. Benjelloun
M. Sfaira
M. Benzakour
M. Mcharfi
B. Hammouti
K. M. Emran
机构
[1] Université Sidi Mohamed Ben Abdellah (USMBA),Laboratoire d’Ingénierie des Matériaux, de Modélisation et d’Environnement, Faculté des Sciences
[2] Mohammed Premier University,Laboratory of Applied Chemistry and Environment, Faculty of Science
[3] Taibah University,Department of Chemistry, College of Science
来源
Metals and Materials International | 2020年 / 26卷
关键词
DFT calculations; Phenyltetrazole derivatives; Corrosion inhibitors; Fukui functions; PCM model;
D O I
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学科分类号
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页码:1725 / 1733
页数:8
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