Synthesis, DFT, molecular dynamics, and Monte Carlo simulation of a novel thiourea derivative with extraordinary inhibitive properties for mild steel in 0.5 M sulphuric acid.

Hegazy, Ahmed M; Haiba, Nesreen S; Awad, Mohamed K; Mahgoub, Fatma M

Hegazy, Ahmed M; Haiba, Nesreen S; Awad, Mohamed K; Mahgoub, Fatma M.

Afiliação

Hegazy AM; Department of Materials Science, Institute of Graduate Studies and Research, Alexandria University, Egypt. ahmed.hegazy@alexu.edu.eg.
Haiba NS; Department of Chemistry and Physics, Faculty of Education, Alexandria University, Egypt. nesreensaied@yahoo.com.
Awad MK; Theoretical Applied Chemistry Unit (TACU), Chemistry Department, Faculty of Science, Tanta University, Egypt. mohamed.awad1@science.tanta.edu.eg.
Mahgoub FM; Department of Materials Science, Institute of Graduate Studies and Research, Alexandria University, Egypt. ahmed.hegazy@alexu.edu.eg.

Phys Chem Chem Phys ; 25(13): 9532-9547, 2023 Mar 29.

Article em En | MEDLINE | ID: mdl-36939088

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Texto completo: 1 Coleções: 01-internacional Contexto em Saúde: 1_ASSA2030 Base de dados: MEDLINE Idioma: En Revista: Phys Chem Chem Phys Ano de publicação: 2023 Tipo de documento: Article

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