Concepedia

Understanding the mechanism of corrosion inhibition of N-decyl-3-amino-1,2,4-triazole on Cu-Ni alloy: Combining electrochemical methods, morphological evaluation, DFT-electronic studies, complexation modes and molecular dynamics simulations

Anas Chraka, Ihssane Raissouni, Fatima Janoub, K. Tassaoui, Najoua Labjar, Areef Billah, Mohamed OULD SIDINE, Mohammed Benmessaoud

Journal of Molecular Structure · 2025 · 10 citations · 53 references

DOI

Concepts

References

53

COMPASS:  An ab Initio Force-Field Optimized for Condensed-Phase ApplicationsOverview with Details on Alkane and Benzene Compounds

Huai Sun · The Journal of Physical Chemistry B · 1998 · 5.9K citations

, , +17

Nobel Lecture: Electronic structure of matter—wave functions and density functionals

W. Kohn · Reviews of Modern Physics · 1999 · 2.6K citations · Full text

, , +16

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

, , +14

Corrosion Inhibitors—Correlation Between Electronic Structure and Efficiency

E. Kálmán, F. Zucchi · CORROSION · 2001 · 1.1K citations

, , +16

Electrochemical corrosion of unalloyed copper in chloride media––a critical review

G. Kear, B. D. Barker, Frank C. Walsh · Corrosion Science · 2003 · 781 citations

, , +17