Computational insights into quinoxaline-based corrosion inhibitors of steel in HCl: Quantum chemical analysis and QSPR-ANN studies

The inhibition of mild steel deterioration via organic substances has become popular nowadays. Among the myriads of organic substances applied as potential inhibitors, quinoxalines stand out as toxic-free, cheap and effective compounds in different electrolytes. This report investigates the computat...

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Main Authors: Taiwo W. Quadri, Lukman O. Olasunkanmi, Omolola E. Fayemi, Hassane Lgaz, Omar Dagdag, El-Sayed M. Sherif, Awad A. Alrashdi, Ekemini D. Akpan, Han-Seung Lee, Eno E. Ebenso
Formato: Artigo
Idioma:Inglês
Publicado em: Elsevier 2022-07-01
Colecção:Arabian Journal of Chemistry
Assuntos:
Corrosion inhibitors
Quinoxalines
Molecular descriptors
Quantitative structure property relationship
Ordinary least squares regression
Artificial neural network
Acesso em linha:http://www.sciencedirect.com/science/article/pii/S1878535222001861
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