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New insights in self-assembled monolayer of imidazolines on iron oxide investigated by DFT

https://doi.org/10.1016/j.apsusc.2018.06.119

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Neutron diffraction studies on the (1−x) Fe2O3 − xRh2O3 system

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The mechanism of action of an oleic imidazoline based corrosion inhibitor for oilfield use

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Molecular modeling study on inhibition performance of imidazolines for mild steel in CO2 corrosion

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A fast and robust algorithm for Bader decomposition of charge density

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Computational simulations of the molecular structure and corrosion properties of amidoethyl, aminoethyl and hydroxyethyl imidazolines inhibitors

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Molecular dynamics and density functional theory study on relationship between structure of imidazoline derivatives and inhibition performance

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Molecular modeling of the inhibition mechanism of 1-(2-aminoethyl)-2-alkyl-imidazoline

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Theoretical evaluation of corrosion inhibition performance of imidazoline compounds with different hydrophilic groups

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Application of corrosion inhibitors for steels in acidic media for the oil and gas industry: A review

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Experimental and theoretical studies for corrosion inhibition of carbon steel by imidazoline derivative in 5% NaCl saturated Ca(OH)2 solution

inferredcites →https://doi.org/10.1016/j.jelechem.2003.11.018openalex-snapshot

Experimental and theoretical study of 1-(2-ethylamino)-2-methylimidazoline as an inhibitor of carbon steel corrosion in acid media

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Iron oxide surfaces

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H2O adsorption and dissociation on defective hematite (0001) surfaces: A DFT study

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A DFT study of the hematite surface state in the presence of H2, H2O and O2

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Structural, optical and electrical properties of undoped polycrystalline hematite thin films produced using filtered arc deposition

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Experimental, Quantum Chemical and Molecular Dynamics Studies of Imidazoline Molecules Against the Corrosion of Steel and Quantitative Structure- Activity Relationship Analysis Using the Support Vector Machine (SVM) Method

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EIS Evaluation of the Effect of Neutralizing and Inhibitor Compounds on Corrosion Process of 1018 Carbon Steel in Acid Solutions Typical of Atmospheric Distillation Plants

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ReaxFF: A Reactive Force Field for Hydrocarbons

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Atomistic Simulations of Oleic Imidazolines Bound to Ferric Clusters

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COMPASS: An ab Initio Force-Field Optimized for Condensed-Phase ApplicationsOverview with Details on Alkane and Benzene Compounds

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Self-Assembled Monolayer Mechanism for Corrosion Inhibition of Iron by Imidazolines

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Water adsorption and O-defect formation on Fe 2 O 3 (0001) surfaces

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Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars

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Water adsorption and dissociation on α-Fe2O3(0001): PBE+U calculations

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First-principles calculations of the electronic structure and spectra of strongly correlated systems: the LDA + U method

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Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium

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Projector augmented-wave method

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First-principles calculation of the structure and magnetic phases of hematite

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Ab initio thermodynamics of oxide surfaces: O 2 on Fe 2 O 3 ( 0001 )

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Ab initiostudy of the (0001) surfaces of hematite and chromia: Influence of strong electronic correlations

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Petroleum acids and corrosion

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Incoming claims: where this work appears in other papers’ reference lists and arguments.

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