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Use of a theoretical prediction method and quantum chemical calculations for the design, synthesis and experimental evaluation of three green corrosion inhibitors for mild steel

https://doi.org/10.1016/j.colsurfa.2020.124857
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A Novel and Simple Method for the Prediction of Corrosion Inhibition Efficiency without Using Complex Computer Codes
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Degradation of dicyandiamide by soil bacteria
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Trimethylorthoformate: A mild and effective dehydrating reagent for solution and solid phase imine formation
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Constituent profiles
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Electrochemical, SEM/EDS and quantum chemical study of phthalocyanines as corrosion inhibitors for mild steel in 1mol/l HCl
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The inhibition of mild steel corrosion in acidic medium by 2,2′-bis(benzimidazole)
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New corrosion inhibitor acrylamide methyl ether for mild steel in 1 M HCl
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Spirulina platensis – A novel green inhibitor for acid corrosion of mild steel
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Comparative study of N -[(4-methoxyphenyl) (morpholin-4-yl)methyl]acetamide (MMPA) and N -[morpholin-4-yl(phenyl)methyl]acetamide (MPA) as corrosion inhibitors for mild steel in sulfuric acid solution
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Adsorption and inhibitive properties of Tryptophan on low alloy steel corrosion in acidic media
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Inhibition effect of tetradecylpyridinium bromide on the corrosion of cold rolled steel in 7.0 M H3PO4
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Green Eucalyptus leaf extract: A potent source of bio-active corrosion inhibitors for mild steel
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Preparation of triazole compounds via click chemistry reaction and formation of the protective self-assembled membrane against copper corrosion
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Synergistic effect and mechanism of copper corrosion inhibition using cinnamaldehyde and vanillin in HCl solution: An experimental and theoretical approach
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Polyoxyethylene sorbitan trioleate surfactant as an effective corrosion inhibitor for carbon steel protection
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Imidazolium-derived polymeric ionic liquid as a green inhibitor for corrosion inhibition of mild steel in 1.0 M HCl: Experimental and computational study
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Evaluation of anti-corrosion performance of modified gelatin-graphene oxide nanocomposite dispersed in epoxy coating on mild steel in saline media
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Theoretical and electrochemical analysis on inhibition effect of benzotriazole and 1,2,4-triazole on cobalt surface
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Eriobotrya japonica Lindl leaves extract application for effective corrosion mitigation of mild steel in HCl solution: Experimental and computational studies
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Thermodynamic characterization of metal dissolution and inhibitor adsorption processes in mild steel/2,5-bis(n-thienyl)-1,3,4-thiadiazoles/hydrochloric acid system
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Schiff’s base of pyridyl substituted triazoles as new and effective corrosion inhibitors for mild steel in hydrochloric acid solution
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Corrosion inhibition of mild steel in acidic medium by polyacrylamide grafted Guar gum with various grafting percentage: Effect of intramolecular synergism
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Halogen-substituted imidazoline derivatives as corrosion inhibitors for mild steel in hydrochloric acid solution
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Inhibition of the corrosion of carbon steel in HCl solution by methionine and its derivatives
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A combined electrochemical and theoretical study into the effect of 2-((thiazole-2-ylimino)methyl)phenol as a corrosion inhibitor for mild steel in a highly acidic environment
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The adsorption and inhibition behavior of two organic inhibitors for carbon steel in simulated concrete pore solution
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1,2,3-Triazole derivatives as corrosion inhibitors for mild steel in acidic medium: Experimental and computational chemistry studies
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Effect of stereochemical conformation into the corrosion inhibitive behaviour of double azomethine based Schiff bases on mild steel surface in 1 mol L−1 HCl medium: An experimental, density functional theory and molecular dynamics simulation study
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Green synthesis of 1-benzyl-4-phenyl-1H-1,2,3-triazole, its application as corrosion inhibitor for mild steel in acidic medium and new approach of classical electrochemical analyses
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4-aminoazobenzene modified natural glucomannan as a green eco-friendly inhibitor for the mild steel in 0.5 M HCl solution
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Corrosion inhibition of carbon steel in hydrochloric acid by furan derivatives
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Electrochemical and quantum chemical study of purines as corrosion inhibitors for mild steel in 1M HCl solution
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Ircinia strobilina crude extract as corrosion inhibitor for mild steel in acid medium
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Experimental and theoretical studies on the corrosion inhibition of copper by two indazole derivatives in 3.0% NaCl solution
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Application of a cosmetic additive as an eco-friendly inhibitor for mild steel corrosion in HCl solution
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Longan seed and peel as environmentally friendly corrosion inhibitor for mild steel in acid solution: Experimental and theoretical studies
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Enhancement of corrosion resistance of polypyrrole using metal oxide nanoparticles: Potentiodynamic and electrochemical impedance spectroscopy study
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Corrosion protection for mild steel by extract from the waste of lychee fruit in HCl solution: Experimental and theoretical studies
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Corrosion inhibition of X65 steel in sulfuric acid by two food flavorants 2-isobutylthiazole and 1-(1,3-Thiazol-2-yl) ethanone as the green environmental corrosion inhibitors: Combination of experimental and theoretical researches
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Effect of 1-(3-phenoxypropyl) pyridazin-1-ium bromide on steel corrosion inhibition in acidic medium
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Comprehensive investigation of steel corrosion inhibition at macro/micro level by ecofriendly green corrosion inhibitor in 15% HCl medium
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Corrosion inhibition efficiency and adsorption characteristics of some Schiff bases at mild steel/hydrochloric acid interface
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Highly efficient Ligularia fischeri green extract for the protection against corrosion of mild steel in acidic medium: Electrochemical and spectroscopic investigations
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Green production of bioactive components from herbal origins through one-pot oxidation/polymerization reactions and application as a corrosion inhibitor for mild steel in HCl solution
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Chemistry of the interaction between azole type corrosion inhibitor molecules and metal surfaces
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Mild and convenient one pot synthesis of Schiff bases in the presence of P2O5/Al2O3 as new catalyst under solvent-free conditions
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Experimental, quantum chemical and Monte Carlo simulation studies of 3,5-disubstituted-4-amino-1,2,4-triazoles as corrosion inhibitors on mild steel in acidic medium
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Excellent corrosion inhibition performance of novel quinoline derivatives on mild steel in HCl media: Experimental and computational investigations
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Low cost aqueous extract of Pisum sativum peels for inhibition of mild steel corrosion
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Sunflower seed hull extract as a novel green corrosion inhibitor for mild steel in HCl solution
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Clay catalyzed synthesis of imines and enamines under solvent-free conditions using microwave irradiation
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Correction: Inhibition of mild steel corrosion in hydrochloric acid using two novel pyridine Schiff base derivatives: a comparative study of experimental and theoretical results
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Catalysed aerobic dehydrogenation of amines and an X-ray crystal structure of a bis(benzylamine) ruthenium(II) porphyrin species
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inferred← citeshttps://doi.org/10.1016/j.cej.2021.133481openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.cis.2024.103303openalex-snapshot
Advancements in ionic liquid-based corrosion inhibitors for sustainable protection strategies: from experimental to computational insights
inferred← citeshttps://doi.org/10.1016/j.colsurfa.2020.126077openalex-snapshot
A green Brassica oleracea L extract as a novel corrosion inhibitor for Q235 steel in two typical acid media
inferred← citeshttps://doi.org/10.1016/j.colsurfa.2021.127488openalex-snapshot
Golpar leaves extract application for construction of an effective anti-corrosion film for superior mild-steel acidic-induced corrosion mitigation at different temperatures
inferred← citeshttps://doi.org/10.1016/j.colsurfa.2022.128540openalex-snapshot
Innovative characterization of original green vanillin-derived Schiff bases as corrosion inhibitors by a synergic approach based on electrochemistry, microstructure, and computational analyses
inferred← citeshttps://doi.org/10.1016/j.colsurfa.2024.134255openalex-snapshot
Quinoline derivatives as corrosion inhibitors for mild steel in acid medium: Deeper insights from experimental, ab initio density functional theory modeling, and in silico ecotoxicity investigations
inferred← citeshttps://doi.org/10.1016/j.colsurfa.2025.137874openalex-snapshot
DFT-guided design and experimental validation of small molecules to fight against mild steel corrosion: Chemical synthesis and extensive evaluation of 4 small enones as corrosion inhibitors
inferred← citeshttps://doi.org/10.1016/j.electacta.2023.143629openalex-snapshot
Selenocyanates and selenotetrazoles derivatives: A detailed experimental and theoretical evaluation as corrosion inhibitors for mild steel in aggressive environment
inferred← citeshttps://doi.org/10.1016/j.fuel.2024.133729openalex-snapshot
Analytical study on mild steel corrosion inhibition in acidic environment: DFT modeling and RSM optimization
inferred← citeshttps://doi.org/10.1016/j.heliyon.2023.e18353openalex-snapshot
1-Butyl-3-methylimidazolium methane sulfonate ionic liquid corrosion inhibitor for mild steel alloy: Experimental, optimization and theoretical studies
inferred← citeshttps://doi.org/10.1016/j.ijoes.2023.100435openalex-snapshot
Experimental and theoretical investigation of phenyl disulphide as an effective inhibitor for copper in sodium chloride medium
inferred← citeshttps://doi.org/10.1016/j.inoche.2023.111722openalex-snapshot
Green-synthetized β-amino-α-carbethoxy ethyl acrylates as corrosion inhibitors for mild steel in acid media: Experimental performance evaluation and atomic/molecular-level modeling
inferred← citeshttps://doi.org/10.1016/j.jece.2021.105487openalex-snapshot
Eco-friendly protocol for zinc-doped amorphous carbon-based film construction over steel surface using nature-inspired phytochemicals: Coupled experimental and classical atomic/molecular and electronic-level theoretical explorations
inferred← citeshttps://doi.org/10.1016/j.jmrt.2023.10.117openalex-snapshot
Experimental and density functional theory study of the effect of polar groups on interaction at the polyolefin-aluminum laminated film interface
inferred← citeshttps://doi.org/10.1016/j.jtice.2023.105047openalex-snapshot
Insight into the corrosion inhibition performance of Jasmine flower extract on copper in sulfuric acid medium using experimental and theoretical calculation methods
inferred← citeshttps://doi.org/10.1016/j.matchemphys.2022.126508openalex-snapshot
Corrosion inhibition and ecotoxicological assessment of 1,2,3-triazolic alcohols
inferred← citeshttps://doi.org/10.1016/j.matchemphys.2023.128644openalex-snapshot
Highly effective inhibition of steel corrosion in 1.0 M HCl solution using a novel non-ionic surfactant with coumarin moiety: Practical and computational studies
inferred← citeshttps://doi.org/10.1016/j.matchemphys.2023.128678openalex-snapshot
Evaluation on corrosion mitigation capabilities of nitrogen doped carbon dots as corrosion inhibitors for mild steel in descaling solution
inferred← citeshttps://doi.org/10.1016/j.microc.2021.106049openalex-snapshot
Performance of all ionic liquids as the eco-friendly and sustainable compounds in inhibiting corrosion in various media: A comprehensive review
inferred← citeshttps://doi.org/10.1016/j.molliq.2020.114813openalex-snapshot
Inhibition properties of 4,5-dihydroxy-4,5-di-p-tolylimidazolidine-2-thione for use on carbon steel in an aggressive alkaline medium with chloride ions: Thermodynamic, electrochemical, surface and theoretical analyses
inferred← citeshttps://doi.org/10.1016/j.molliq.2020.115077openalex-snapshot
Amino acid and cinnamaldehyde conjugated Schiff bases as proficient corrosion inhibitors for mild steel in 1 M HCl at higher temperature and prolonged exposure: Detailed electrochemical, adsorption and theoretical study
inferred← citeshttps://doi.org/10.1016/j.molliq.2021.115475openalex-snapshot
A gossypol derivative as an efficient corrosion inhibitor for St2 steel in 1 M HCl + 1 M KCl: An experimental and theoretical investigation
inferred← citeshttps://doi.org/10.1016/j.molliq.2021.115764openalex-snapshot
A comprehensive electronic-scale DFT modeling, atomic-level MC/MD simulation, and electrochemical/surface exploration of active nature-inspired phytochemicals based on Heracleum persicum seeds phytoextract for effective retardation of the acidic-induced corrosion of mild steel
inferred← citeshttps://doi.org/10.1016/j.molliq.2021.116168openalex-snapshot
Experimental and theoretical assessment of new and eco–friendly thioglycoluril derivative as an effective corrosion inhibitor of St2 steel in the aggressive hydrochloric acid with sulfate ions
inferred← citeshttps://doi.org/10.1016/j.molliq.2022.119790openalex-snapshot
Anticorrosive properties of green-synthetized benzylidene derivatives for mild steel in hydrochloric acid: An experimental study combined with DFTB and molecular dynamics simulations
inferred← citeshttps://doi.org/10.1016/j.molliq.2023.121299openalex-snapshot
A detailed experimental performance of 4-quinolone derivatives as corrosion inhibitors for mild steel in acid media combined with first-principles DFT simulations of bond breaking upon adsorption
inferred← citeshttps://doi.org/10.1016/j.molstruc.2021.130165openalex-snapshot
Thioglycoluril derivative as a new and effective corrosion inhibitor for low carbon steel in a 1 M HCl medium: Experimental and theoretical investigation
inferred← citeshttps://doi.org/10.1016/j.molstruc.2025.141924openalex-snapshot
Novel eco-friendly nicotinonitrile derivative as a corrosion inhibitor for carbon steel: Synthesis, inhibitive efficiency, and DFT analysis
inferred← citeshttps://doi.org/10.1016/j.porgcoat.2025.109561openalex-snapshot
Synthesis of novel carbon dots as efficient green corrosion inhibitor for mild steel in an acidic environment: Electrochemical, gravimetric, and XPS analysis
inferred← citeshttps://doi.org/10.1016/j.rechem.2023.100975openalex-snapshot
Synthesis and characterization of (E)-4-(((4-(5-mercapto-1, 3, 4-oxadiazol-2-yl) phenyl) amino) methyl)-2-methoxyphenol as a novel corrosion inhibitor for mild-steel in acidic medium
inferred← citeshttps://doi.org/10.1016/j.rechem.2025.102571openalex-snapshot
Machine learning and experimental design interrogation for modelling corrosion inhibition of mild steel (ASISI 1018) by expired clindamycin: weight loss, artificial neural network, electrochemical, computational and surface topology investigations
inferred← citeshttps://doi.org/10.1016/j.rsurfi.2025.100615openalex-snapshot
Synthesis guided by multivariate analysis of computational descriptors and electrochemical evaluation of aniline-based Schiff bases as potential corrosion inhibitors in acidic media
inferred← citeshttps://doi.org/10.1016/j.scp.2022.100751openalex-snapshot
Pyrolysis of Syagrus coronata: Transforming agroindustrial waste into a new environmentally sustainable corrosion inhibitor
inferred← citeshttps://doi.org/10.1016/j.surfin.2020.100773openalex-snapshot
Study of three new halogenated oxoquinolinecarbohydrazide N-phosphonate derivatives as corrosion inhibitor for mild steel in acid environment
inferred← citeshttps://doi.org/10.1021/acs.langmuir.6c02011openalex-snapshot
Electrochemical and Theoretical Evaluation of Carbothioamide-Derived Corrosion Inhibitors for Mild Steel in Acidic Environments
inferred← citeshttps://doi.org/10.1038/s41598-025-30044-yopenalex-snapshot
Nanoengineered t-ZrO2 coatings for superior corrosion resistance on steel surfaces
inferred← citeshttps://doi.org/10.1039/d2ra01131jopenalex-snapshot
Autonomous-healing and smart anti-corrosion mechanism of polyurethane embedded with a novel synthesized microcapsule containing sodium dodecyl sulfate as a corrosion inhibitor
inferred← citeshttps://doi.org/10.1051/e3sconf/202339903002openalex-snapshot
Corrosion Assessment Methods in Reinforced Cement Concrete
inferred← citeshttps://doi.org/10.1080/1536383x.2026.2712961openalex-snapshot
On the dimensional analysis of Langmuir isotherms used in the evaluation of organic corrosion inhibitors
inferred← citeshttps://doi.org/10.1134/s0036024422100193openalex-snapshot
Density Functional Theory and Computational Simulation of the Molecular Structure on Corrosion of Carbon Steel in Acidic Media of Some Amino Acids
inferred← citeshttps://doi.org/10.1515/corrrev-2023-0017openalex-snapshot
Organic compounds as corrosion inhibitors for reinforced concrete: a review
inferred← citeshttps://doi.org/10.17675/2305-6894-2023-12-4-32openalex-snapshot
Using the essential oil of the plant Illicium verum as an ecological corrosion inhibitor for stainless steel in an HCl solution
inferred← citeshttps://doi.org/10.18845/tm.v37i3.6870openalex-snapshot
Resonancia Magnética Nuclear en Costa Rica: una perspectiva histórica
inferred← citeshttps://doi.org/10.20964/2022.05.44openalex-snapshot
The Corrosion Inhibition Effect of Thiourea for Q235 steel in Oxalic Acid Solution
inferred← citeshttps://doi.org/10.3103/s106837552301012xopenalex-snapshot
Quantum Chemical and Electrochemical Evaluation of Isoperthiocyanic Acid Derivatives as Novel Corrosion Inhibitors of Mild Steel in 2 M Hydrochloric Acid
inferred← citeshttps://doi.org/10.3390/ma14195657openalex-snapshot
Innovative Method for Longer Effective Corrosion Inhibition Time: Controlled Release Oil Palm Empty Fruit Bunch Hemicellulose Inhibitor Tablet
inferred← citeshttps://doi.org/10.3390/pr8080942openalex-snapshot
Plant Extracts as Green Corrosion Inhibitors for Different Metal Surfaces and Corrosive Media: A Review
inferred← citeshttps://doi.org/10.35193/bseufbd.1117801openalex-snapshot
2-etil-4-metil-1,3-tiyazol-5-karboksilik Asitin Korozyona Karşı İnhibisyon Etkisinin İncelenmesi
inferred← citeshttps://doi.org/10.5937/zasmat2304452kopenalex-snapshot
Anti-corrosion properties of expired ropinirole (ERN System) drug as inhibitor for mild steel in 1M HCl
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