Concepedia

Synthesis, experimental, theoretical, and molecular dynamic studies of 1-(2,5-dimethoxy-4-methylphenyl)ethan-1-thiosemicarbazone as green inhibitor for carbon steel corrosion

Esseddik Elqars, Yassine Laamari, Karima Sadik, Abdoullah Bimoussa, Ali Oubella, Issam Mechnou, Aziz Auhmani, Mohamed Labd Taha, Abdelhafid Essadki, Aziz Aboulmouhajir,

Journal of Molecular Structure · 2023 · 22 citations · 88 references

DOI

Concepts

References

88

Density-functional exchange-energy approximation with correct asymptotic behavior

Axel D. Becke · Physical review. A, General physics · 1988 · 53.5K citations

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Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

John P. Perdew, J. A. Chevary, S. H. Vosko et al. · Physical review. B, Condensed matter · 1992 · 22K citations

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The Perdew–Burke–Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis set

Joachim Paier, Robin Hirschl, Martijn Marsman et al. · The Journal of Chemical Physics · 2005 · 1K citations

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Theoretical insight into an empirical rule about organic corrosion inhibitors containing nitrogen, oxygen, and sulfur atoms

Lei Guo, I.B. Obot, Xingwen Zheng et al. · Applied Surface Science · 2017 · 445 citations

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Effect of electron donating functional groups on corrosion inhibition of mild steel in hydrochloric acid: Experimental and quantum chemical study

Ambrish Singh, K.R. Ansari, Jiyaul Haque et al. · Journal of the Taiwan Institute of Chemical Engineers · 2017 · 316 citations

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