Concepedia

Comprehensive assessment of corrosion inhibition mechanisms of novel benzimidazole compounds for mild steel in HCl: An experimental and theoretical investigation

Abdelkarim Chaouiki, Maryam Chafiq, Mohamed Rbaa, R. Salghi, B. Lakhrissi, Ismat H. Ali, Sumayah Bashir, Ill‐Min Chung

Journal of Molecular Liquids · 2020 · 93 citations · 48 references

DOI

Concepts

References

48

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

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From molecules to solids with the DMol3 approach

B. Delley · The Journal of Chemical Physics · 2000 · 10.9K citations · Full text

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Ab initio molecular orbital theory

Warren J. Hehre · Accounts of Chemical Research · 1976 · 7.9K citations

, , +5

Absolute electronegativity and hardness: application to inorganic chemistry

Ralph G. Pearson · Inorganic Chemistry · 1988 · 3.4K citations

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Density functional theory (DFT) as a powerful tool for designing new organic corrosion inhibitors. Part 1: An overview

I.B. Obot, Digby D. Macdonald, Zuhair M. Gasem · Corrosion Science · 2015 · 1.3K citations

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