Part 1: In-silico studies as corrosion inhibitor and its experimental investigation on mild steel in wet-lab
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference29 articles.
1. Corrosion inhibitors;Riggs,1973
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3. Molecular level insights for the corrosion inhibition effectiveness of three amine derivatives on the carbon steel surface in the adverse medium: A combined density functional theory and molecular dynamics simulation study;Surfaces and Interfaces;2018-03
4. Evaluating electronic structure of quinazolinone and pyrimidinone molecules for its corrosion inhibition effectiveness on target specific mild steel in the acidic medium: A combined DFT and MD simulation study;Journal of Molecular Liquids;2016-12
5. Density functional theory and molecular dynamics simulation study on corrosion inhibition performance of mild steel by mercapto-quinoline Schiff base corrosion inhibitor;Physica E: Low-dimensional Systems and Nanostructures;2015-02
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