Concepedia

Impact of electron-withdrawing and electron-donating substituents on the corrosion inhibitive properties of benzimidazole derivatives: A quantum chemical study

Ismail Abdulazeez, Mazen Khaled, Abdulaziz A. Al‐Saadi

Journal of Molecular Structure · 2019 · 95 citations · 45 references

DOI

Concepts

References

45

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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Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

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Electrophilicity Index

Robert G. Parr, László von Szentpály, Shubin Liu · Journal of the American Chemical Society · 1999 · 7.3K citations

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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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