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Issue Date
Title
Author(s)
2023-04-18
Insights into the Corrosion Inhibition Performance of Isonicotinohydrazide Derivatives for N80 Steel in 15% HCl Medium: An Experimental and Molecular Level Characterization
하산 르가즈
2023-04-18
Unraveling Bonding Mechanisms and Electronic Structure of Pyridine Oximes on Fe(110) Surface: Deeper Insights from DFT, Molecular Dynamics and SCC-DFT Tight Binding Simulations
하산 르가즈
2024-05-01
Comprehensive structural characterization and Quantum mechanical exploration of o-phenylenediamine Dihydrogenphosphate: An integrated theoretical and experimental approach
하산 르가즈
2023-11-20
Towards a deeper understanding of the coordination chemistry in pyridinium-based ionic liquids-iron systems: Insights from quantum chemical and semi-empirical investigations
하산 르가즈
2024-01-30
Interfacial adsorption mechanism of hydroxycinnamic acids on iron surfaces: A computational perspective toward eco-friendly corrosion mitigation strategies
하산 르가즈
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하산 르가즈
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corrosion inhibitor
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SCC-DFTB
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adsorption
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computational methods
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Corrosion inhibition
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density of states
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Dihydrogenphosphate
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Green inhibitor
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Hydroxycinnamic acids
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Infrared spectroscopy
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2024
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2023
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