Synthesis guided by multivariate analysis of computational descriptors and electrochemical evaluation of aniline-based Schiff bases as potential corrosion inhibitors in acidic media
Using the density functional theory (DFT), we analyzed the electronic properties of 42 Schiff bases, revealing key descriptors such as HOMO, LUMO and electronegativity, which correlate with their reactive behavior and adsorption. Principal component analysis (PCA) and hierarchical cluster analysis (...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2025-08-01
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| Series: | Results in Surfaces and Interfaces |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2666845925002028 |
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