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Dft, Monto Carlo and Molecular Dynamics Studies of Three Isatin Thiosemicarbazone Derivatives as Corrosion Inhibitors for Aluminium Alloy in Acidic Medium

https://doi.org/10.2139/ssrn.4528443
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21/21 checkable references clean · checked 2026-07-24

Every reference with a DOI in the deposited reference list resolved to a known work in Crossref or DataCite at the dated check, and none carried a retraction, withdrawal, or removal notice.

27 without a DOI — not checked. A reference deposited without a DOI is never matched by title or guessed at; it stays outside the checked set, and this line discloses that.

The 21 checked references that resolve
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Corrosion inhibition of 2024-T3 aluminum alloy in 3.5% NaCl by thiosemicarbazone derivatives
resolves10.1016/j.molliq.2020.112965
Sodium diethyldithiocarbamate as a novel corrosion inhibitor to mitigate corrosion of 2024-T3 aluminum alloy in 3.5 wt% NaCl solution
resolves10.1016/j.molliq.2019.112309
DFT computations and molecular dynamics investigations on conformers of some pyrazinamide derivatives as corrosion inhibitors for aluminum
resolves10.1016/j.molliq.2018.05.099
Computational study of some thiophene derivatives as aluminium corrosion inhibitors
resolves10.1016/j.corsci.2010.05.001
Electrochemical investigation and modeling of corrosion inhibition of aluminum in molar nitric acid using some sulphur-containing amines
resolves10.1016/j.jmrt.2020.08.012
Isatin thiosemicarbazone derivatives as inhibitors against corrosion of AA6060 aluminium alloy in acidic chloride medium: substituent effects
resolves10.1016/S0013-4686(03)00307-4
Quantum chemical approach of corrosion inhibition
resolves10.1016/j.molliq.2021.116978
Theoritical evaluation of Citrus Aurantium leaf extract as green inhibitor for chemical and biological corrosion of mild steel in acidic solution: Statistical, molecular dynamics, docking, and quantum mechanics study
resolves10.3390/coatings10111086
Quantum Chemical and Monte Carlo Simulation Studies on Inhibition Performance of Caffeine and Its Derivatives against Corrosion of Copper
resolves10.1016/S0031-8914(34)90011-2
Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines Atoms
resolves10.1073/pnas.82.20.6723
Hardness, softness, and the fukui function in the electronic theory of metals and catalysis.
resolves10.1016/0010-8545(90)85016-L
Hard and soft acids and bases—the evolution of a chemical concept
resolves10.1021/ic00277a030
Absolute electronegativity and hardness: application to inorganic chemistry
resolves10.1021/ja00279a008
The use of global and local molecular parameters for the analysis of the gas-phase basicity of amines
resolves10.1016/j.cplett.2006.05.003
Theoretical support for using the Δf(r) descriptor
resolves10.1007/s40242-018-7349-1
Adsorption Activity and Molecular Dynamics Study on Anti-corrosion Mechanism of Q235 Steel
resolves10.1016/j.corsci.2017.04.017
Effect of substitution on corrosion inhibition properties of 2-(substituted phenyl) benzimidazole derivatives on mild steel in 1 M HCl solution: A combined experimental and theoretical approach
resolves10.1021/ie302324b
Molecular-Level Understanding of the Inhibition Efficiency of Some Inhibitors of Zinc Corrosion by Quantum Chemical Approach
resolves10.1038/s41598-021-82927-5
DFT, Monte Carlo and molecular dynamics simulations for the prediction of corrosion inhibition efficiency of novel pyrazolylnucleosides on Cu(111) surface in acidic media
resolves10.1016/S1452-3981(23)19602-7
Quantum Chemical Studies on the Corrosion Inhibition of Mild Steel by Some Triazoles and Benzimidazole Derivatives in Acidic Medium
resolves10.1016/j.comptc.2010.10.006
Molecular dynamics simulation of interaction between benzotriazoles and cuprous oxide crystal
The 27 references without a DOI — listed, not checked
no DOI — not checkedA comparative study of 5083 aluminium alloy and 316L stainless steel for shipbuilding material
no DOI — not checkedref2
no DOI — not checkedFriction stir welding of high-strength aerospace aluminum alloy and application in rocket tank manufacturing
no DOI — not checkedPotentiodynamic polarization studies of Cefadroxil and Dicloxacillin drugs on the corrosion susceptibility of aluminium AA6063 in 0.5 M nitric acid
no DOI — not checkedSildenafil drug as a safe anticorrosion for 6063 aluminum alloy in acidic and alkaline solutions: Theoretical and experimental studies
no DOI — not checkedInhibition Effects of 4-Phenyl-3-Thiosemicarbazide on the Corrosion of Aluminum in 0.1 M HCl: Theoretical and Experimental Studies
no DOI — not checkedInhibitive effects of isatin, thiosemicarbazide and isatin-3-(3-thiosemicarbazone) on the corrosion of aluminium alloys in nitric acid
no DOI — not checkedInfluence of N-heterocyclic compounds on the corrosion of Al-Si alloy in hydrochloric acid-Effect of pH and temperature
no DOI — not checkedref15
no DOI — not checkedref16
no DOI — not checkedDensity functional theory (DFT) as a powerful tool for designing new organic corrosion inhibitors. Part 1: An overview
no DOI — not checkedA theoretical study on the inhibition efficiencies of some amino acids as corrosion inhibitors of nickel
no DOI — not checkedA Study on Inhibition Performance of Mercaptoalcohols As Corrosion Inhibitors by First Principle and Molecular Dynamics Simulation
no DOI — not checkedElectrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects
no DOI — not checkedElectrophilicity Index
no DOI — not checkedPhilicity: a unified treatment of chemical reactivity and selectivity
no DOI — not checkedA combined quantum chemical, molcular dynamics and Monto Carlo study of three amino acids as corroison inhibitors for aluminum in NaCl solution
no DOI — not checkedStructure and dynamics at the Al(111)-surface
no DOI — not checkedSurface structure and solidification morphology of aluminum nanoclusters
no DOI — not checkedref35
no DOI — not checkedSynthesis and structural characterization of the ligand Isatin-3-(N-4-Benzylthiosemicarbazone) and its mercury(II) complex
no DOI — not checkedExperimental and theoretical study of the effect of some heterocyclic compounds on the corrosion of low carbon steel in 3.5% NaCl medium
no DOI — not checkedChondroitin sulfate as potent green corrosion inhibitor for mild steel in 1 M HCl
no DOI — not checkedTheoretical study of benzimidazole and its derivatives and their potential activity as corrosion inhibitors
no DOI — not checkedDensity functional theory and molecular dynamics simulation study on corrosion inhibition performance of mild steel by mercapto-quinoline Schiff base corrosion inhibitor
no DOI — not checkedref45
no DOI — not checkedref47
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