ArticleScientific reports2021
DFT, Monte Carlo and molecular dynamics simulations for the prediction of corrosion inhibition efficiency of novel pyrazolylnucleosides on Cu(111) surface in acidic media.
Article in Scientific reports, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
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Who cites it
12 citing papers in PubMed.
- Experimental and theoretical insights into the inhibitory capabilities of polythiophene and polypyrrole molecules for protecting mild steel from corrosion in sulfuric acid.Scientific reports · 2026Article
- An overview on emerging green organic corrosion inhibitors: sustainable solution for oil and gas industrial applications.RSC advances · 2026Review
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- Sustainable novel chitosan sulfonamides conjugated with a phthalazine derivative for enhanced corrosion inhibition in acidic environments.RSC advances · 2025Article
- Computational investigation of anticorrosion properties in Ethyl 4-[(E)-(2-Hydroxy-4-Methoxyphenyl)Methyleneamino]Benzoate and its pyrrole substituted variant on mild steel.Scientific reports · 2025Article
- Multiscale Simulation of Nanowear-Resistant Coatings.Materials (Basel, Switzerland) · 2025Review
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- Understanding ion-transfer reactions in silver electrodissolution and electrodeposition from first-principles calculations and experiments.Chemical science · 2024Article
- Computational Exploration of Phenolic Compounds in Corrosion Inhibition: A Case Study of Hydroxytyrosol and Tyrosol.Materials (Basel, Switzerland) · 2023Article
- DFT Study on Corrosion Inhibition by Tetrazole Derivatives: Investigation of the Substitution Effect.ACS omega · 2023Article
- Synthesis, experimental and computational studies on the anti-corrosion performance of substituted Schiff bases of 2-methoxybenzaldehyde for mild steel in HCl medium.Scientific reports · 2023Article
- Cellulose polymers with β-amino ester pendant group: design, synthesis, molecular docking and application in adsorption of toxic metals from wastewater.BMC chemistry · 2022Article
Corrections and comments
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Authors and funding
12 authors.
Funding
Abstract
Five novel pyrazolylnucleosides have been evaluated theoretically for their corrosion inhibition efficiency on the Cu(111) surface in acidic media. DFT calculations were carried out to exhibit the intrinsic properties such as lowest unoccupied (E
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