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DFT Study on Corrosion Inhibition by Tetrazole Derivatives: Investigation of the Substitution Effect

[Image: see text] Corrosion is one of the problems that most industries face. Our aim in the current study is to perform density functional theory calculations and Monte Carlo simulation to theoretically investigate the corrosion inhibition of the copper (1 1 1) surface by tetrazole molecules and a...

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Detalles Bibliográficos
Autores principales:	Esmaeilzadeh Khabazi, Marzieh, Najafi Chermahini, Alireza
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2023
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10035016/ https://www.ncbi.nlm.nih.gov/pubmed/36969462 http://dx.doi.org/10.1021/acsomega.2c07185

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