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Corrosion Inhibition of Mild Steel by Plumeria rubra Flower Extract: Electrochemical and Computational Study

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Physicochemical bonding and corrosion protection: Non-covalent and coordination bonds in transport and adsorption of corrosion inhibitors

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DFT and Electrochemical Study of Novel Green Corrosion Inhibitor (Pyrantrin) for 1100-H14 Aluminum Corrosion Remediation in 1 M H2SO4 Acidic Environment

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Integrating experimental and ab initio DFT approaches to evaluate chalcone derivatives as corrosion inhibitors for mild steel in acidic environment

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Study on disodium hydrogen phosphate and 2, 4-dimethylpyridine as corrosion inhibitor for Q235 steel in 3.5 wt% NaCl solution

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Exploring protective mechanisms with triazine ring and hydroxyethyl groups: Experimental and theoretical insights

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Selenocyanates and selenotetrazoles derivatives: A detailed experimental and theoretical evaluation as corrosion inhibitors for mild steel in aggressive environment

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Smart self-healing and fluorescence-driven self-indicating coating with enhanced anticorrosive effectiveness: An integrated triple-action armour through experimental and theoretical synchronization

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Imidazolidiny Urea as a Potential Corrosion Inhibitor for Mild Steel in HCl Medium: Experimental and Density-Functional Based Tight-Binding Methods

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Mechanistic Insights into the Eco-Friendly Conifer Cone Extract’s Corrosion Inhibition on Steel Rebar and Cement Mortar: An Experimental and Simulation Approach

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Recent advances in single-atom catalysts for high-performance carbon dioxide electroreduction: Synthetic strategies and electrochemical frontiers

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A critical review of coordination chemistry of pyrimidine and pyridazine compounds: Bonding, chelation and corrosion inhibition

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A new insight into corrosion inhibition mechanism of the corrosion inhibitors: review on DFT and MD simulation

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A critical review on advanced surface analysis techniques used for studying the adsorption mechanisms of organic corrosion inhibitors

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Dehydrogenation, polymerization and self-assembly in the inhibition of copper surfaces by an ultrathin imidazole film

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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

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Intrinsic electronic property and adsorption of organic molecules on specific iron surface: an ab initio DFT and DFTB study

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Heteroatoms-doped carbon dots: Fundamental, properties, coordination bonding and corrosion protection

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Interfacial Inhibition of Mild Steel Corrosion by Abemaciclib and Abrocitinib in Acidic Media: Insights from Density Functional Theory and Molecular Dynamics Simulations

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ChemistrySelect, 2025, 10
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Surface science perspectives on eco-friendly corrosion inhibitors

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Surface and interfacial properties of poly(methyldiallylammonium chloride): Effect of hydrophobic pendant and synergism (KI) on corrosion of C1018CS in 15% HCl

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Molecular dynamics study of corrosion behavior of iron with vacancies exposed to lead‐bismuth eutectic

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The Performance of Amino‐ and Hydroxy‐Substituted Benzothiazoles in Inhibiting the Corrosion of Carbon Steel in HCl and the Molecular‐Level Mechanisms

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ChemistrySelect, 2024, 9
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Plant wastes as alternative sources of sustainable and green corrosion inhibitors in different environments

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Novel thiazole-derived Schiff-Bases as efficient corrosion inhibitors for mild steel in acidic Media: Synthesis, electrochemical and Computational insights

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Towards a deeper understanding of the coordination chemistry in pyridinium-based ionic liquids-iron systems: Insights from quantum chemical and semi-empirical investigations

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A compilation of Corrosion inhibitors in acidic environments: improvements and advancements from 2018–2023

Anchal Rana and Gitanjali Jindal

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SYNERGISTIC EFFECT OF 1,2-PHENYLENEDIAMINE AND DISODIUM NAPHTHALENE-1,5- SULFONATE FOR ENHANCED CORROSION PROTECTION OF CARBON STEEL IN 0.5 M H2SO4 SOLUTION: EXPERIMENTAL AND THEORETICAL INSIGHTS

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Environment-Friendly Corrosion Inhibitors for Aluminum in Hydrochloric Acid: Quantum and Experimental Research

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Corrosion protection performance of eco-friendly inhibitor for zinc metal surface: Computational modeling

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Exploring sustainable corrosion inhibition of copper in saline environment: An examination of hydroquinazolinones via experimental and ab initio DFT simulations

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Recent Development of Corrosion Inhibitors: Types, Mechanisms, Electrochemical Behavior, Efficiency, and Environmental Impact

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Heteroatomic multiple bonded corrosion inhibitors: Coordination chemistry, bonding and synergistic behavior of σ-donors and π-acceptors

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Assessing the protective efficiency of 5,5′-bis-1,3-benzodioxole against corrosion of XC48 carbon steel: A comprehensive experimental and multi-level computational investigation

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Enhanced Corrosion-Inhibition performance of amino Gossypol: A comprehensive theoretical study

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Interfacial phenomena and surface protection of N80-carbon steel in acidic environments using thiazolidinediones: An experimental and computational analysis

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A multi-scale investigation of the anti-corrosion and diffusion properties of a natural dye extract on aluminum in NaCl solution using DFT, RDF, FFV, and MC/MD simulations

Ayoub Chahid, Meriyem Mouloudi, Said Meftah, Mohamed Essahli, Mohammed Chafi and Abdellah Ech-chahad

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Bio-derived ionic liquids for iron surface protection: A multiscale investigation of cholinium lignin-based inhibitors

Hassane Lgaz, Mouslim Messali, Han-seung Lee and Murad M.A. Abualrejal

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Nitro functionalization of pyrrole-based bisurea molecular tweezers for enhanced Fe(110) surface protection: A first-principles study

Ahmed Hazem Abdelhay, Aymen S. Abu Hatab, Mazen Khaled, Mohanad Shkoor, Raed M. Al-Zoubi and Abdulilah Dawoud Bani-Yaseen

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Corrosion inhibition of P110 carbon steel useful for casing and tubing applications in 3.5% NaCl solution using quaternary ammonium-based copolymers

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Journal of Molecular Liquids, 2024, 402, 124691
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Molecular simulations of anticorrosion behavior of inhibitors for steel in concrete: A review on recent advances and progress

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Valorizing the potential of saffron petals extract for aluminium corrosion control: An integrated approach involving extraction, experimental and computational analysis

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Toward molecular design of high-temperature corrosion inhibitors: A comparative study and mechanistic investigation of conventional versus fluorinated imidazoline surfactants via experimental and theoretical simulation

Yuhao Song, Pengjie Wang, Zijie Tang, Si Duan, Kashif Rahmani Ansari, Ambrish Singh, Xiangwei Kong, Yuanhua Lin, Mohd Talha and Ye Peng

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A theoretical approach to the corrosion inhibition of iron (110) in HCl activation by environmental benign four amino acids: MC simulation and DFT studies

Umme Habeeba and Narasimha Raghavendra

Extreme Materials, 2025, 1, 1
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The adsorption of two organic inhibitors on stainless steel passive film: A reactive force field study

Lei Yuan, Yuxuan Lin, Tong Guo, Rongjia Wen, Qian Yu, Chao Wang, Yongming Tu, Gabriel Sas and Lennart Elfgren

Applied Surface Science, 2023, 607, 154965
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Performance evaluation and assessment of the corrosion inhibition mechanism of carbon steel in HCl medium by a new hydrazone compound: Insights from experimental, DFT and first-principles DFT simulations

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Arabian Journal of Chemistry, 2023, 16, 104711
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Organic Inhibitors of Metal Corrosion in Acid Solutions. I. Mechanism of Protective Action

Ya. G. Avdeev and Yu. I. Kuznetsov

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Inhibition of the galvanic corrosion of carbon steel-stainless steel: Integrated experimental approaches, finite element simulations, and first-principles calculations

S.Y. Tian, C.Y. Si, R.Y. Xue, Sarfaraz Khan, J.M. Duan, Z.N. Jiang and G.A. Zhang

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Elucidating the mechanisms of novel thiazole-based corrosion inhibitors in carbon steel/HCl interface: An integrated approach combining experimental and computational studies

Mariyam En-Nyly, Siham Skal, Yasmina El Aoufir, Houda Serrar, Hassane Lgaz, Said Boukhris, Omar Benali, Taoufiq Guedira and Han-seung Lee

Journal of Molecular Structure, 2024, 1306, 137817
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Assessment of the inhibitive performance of a hydrazone derivative for steel rebar in a simulated concrete medium: Establishing the inhibition mechanism at an experimental and theoretical level

Karthick Subbiah, Han-Seung Lee, Mustafa R. Al-Hadeethi, Taejoon Park and Hassane Lgaz

Chemical Engineering Journal, 2023, 458, 141347
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Electronic effect vs. Molecular size effect: Experimental and computational based designing of potential corrosion inhibitors

Chandrabhan Verma, M.A. Quraishi and Kyong Yop Rhee

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Improving inhibition efficiency of 304 stainless steel using an organic extract in acidic and high temperature environment: Experimental and theoretical studies

Kartika A. Madurani, Soraya Firdausi, Harmami Harmami, Ita Ulfin, Erika Shinchi, Shaimah Rinda Sari, Masato Tominaga and Fredy Kurniawan

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Recent advances in understanding iron/steel corrosion: Mechanistic insights from molecular simulations

Lakshitha Jasin Arachchige, Chunqing Li and Feng Wang

Current Opinion in Solid State and Materials Science, 2025, 35, 101216
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Indolin-2-one derivatives as corrosion inhibitors: Structural insights and evaluation through experimental and computational techniques

Abdelkarim Ait Mansour, Hassane Lgaz, Abderrazzak Elmoutaouakil Ala Allah, JongMin Jang, Mouslim Messali, Lahcen Bazzi, Han-seung Lee, Youssef Ramli and Rachid Salghi

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Enhanced corrosion inhibition of mild steel in acidic environments using essential oils of broad-leaved cattail: A comprehensive of electrochemical and theoretical studies

Azeddine Lebkiri, Abdelhay El Amri, Otmane Kharbouch, Said Bouzikri, Chaimae Merimi, Assia Jebli, Khadija Mortadi, Abdeslam El Amri, Moussa Ouakki, Avni Berisha, Savaş Kaya, Rachid Hsissou, El Mahdi Hbaiz and Amar Habsaoui

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Exploring the efficacy of Congo Red dye as a corrosion inhibitor for aluminum in HCl solution: An interdisciplinary study with RSM modeling and theoretical simulations

Ayoub Chahid, Mohammed Chafi, Mohamed Essahli, Awad A. Alrashdi and Hassane Lgaz

Arabian Journal of Chemistry, 2024, 17, 105810
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Design, synthesis, and computational studies of novel imidazo[1,2-a]pyrimidine derivatives as potential dual inhibitors of hACE2 and spike protein for blocking SARS-CoV-2 cell entry

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Advancement in Using Antibiotic Drugs as Corrosion Inhibitor on Different Metals in Variable Corrosive Environment

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Synthesis and Application Insights of New Phosphate Materials A2MnP2O7 (A = Na, K, Li) as Corrosion Inhibitors

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Computational study and experimental validation of corrosion inhibitors based on a vanillin-modified eugenol structure on E24 carbon steel in an acidic environment

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Multiscale computational modeling of phytochemicals for iron corrosion inhibition: Bridging DFT, SCC-DFTB, and molecular dynamics for eco-friendly solutions

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Eco-friendly approach to corrosion inhibition of aluminum by Congo red dye in alkaline media: Experimental assessment, QSAR modeling, diffusion studies, and DFT/MC/MD simulations

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Experimental approaches and computational modeling to investigate the impact of tangerine peel extract on steel corrosion in an acidic environment

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Unveiling the influence of furan and thiophene on the corrosion inhibition capabilities of novel hydrazones derivatives in carbon steel/HCl interface: A dual experimental-theoretical study

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Plant Wastes as Alternative Sources of Sustainable and Green Corrosion Inhibitors in Different Environments

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Tailored α-hydroxyphosphonate derivatives: Green synthesis, spectroscopic characterization, DFT analysis, and high-efficiency corrosion protection for copper in acidic media

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Assessment of Propylene Series Glycol Ethers and Their Derivatives as Potential Corrosion Inhibitors: Molecular Simulations

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Bio-inspired corrosion control: Experimental and theoretical study of Cola lepidota on steel in acid

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Enhanced corrosion protection of carbon steel in HCl solution by a synergistic mixture of imidazopyridine derivative and 2-amino benzimidazole: Experimental and simulation studies

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Investigations on the corrosion protection of molten hydrated salts for thermal energy storage by novel Schiff base compounds

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Computational Elucidation of 4-Amino-N-(4-aminophenyl)benzamide Adsorption and Corrosion Inhibition on Mild Steel Using a Multi-Level Quantum–Simulation Approach

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Inhibition Mechanism of Oxalhydrazide on Reinforcing Steel in Pore Solution Contaminated by 3.5%NaCl - Experimental and Theoretical Study

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Computational DFT analysis and molecular modeling on imidazole derivatives used as corrosion inhibitors for aluminum in acidic media

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Corrosion inhibition of martensitic stainless steel by sodium benzoate in acidic medium: Solanum tuberosum extract as surfactant

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Predicting Corrosion Inhibition Performance of Benzothiazole Derivatives on Mild Steel in Aqueous HCl Medium Using Machine Learning Algorithms

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DFT Study on Corrosion Inhibition by Tetrazole Derivatives: Investigation of the Substitution Effect

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Exploring the mechanisms of eco-friendly pyridinium ionic liquids for corrosion inhibition of carbon steel in saline mediums: Unveiling deeper understanding through experimental and computational approaches

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Comprehensive structural characterization and Quantum mechanical exploration of o-phenylenediamine Dihydrogenphosphate: An integrated theoretical and experimental approach

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Evaluation of the corrosion inhibition of mild steel by newly synthesized imidazo[1,2-a]pyridine derivatives: experimental and theoretical investigation

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N‐(4‐Chloromethylbenzyl)‐N, N‐dimethyldodecan‐1‐aminium Chloride: A Quaternary Ammonium Surfactant as Corrosion Inhibitor

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Cyanthillium cinerium(L.) extract as green corrosion inhibitor for mild steel in acidic medium: Electrochemical and computational study

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Corrosion Inhibition Properties of Phenyl Phthalimide Derivatives against Carbon Steel in the Acidic Medium: DFT, MP2, and Monte Carlo Simulation Studies

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Multi‐Method Study of Benzoylthiourea Corrosion Inhibitors: DFT, Monte Carlo Simulations, and Electron Density Analysis for Fe(110) Protection in Acidic and Dry Environment

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Computational and Experimental Exploration of Di‐Iodo‐Based Schiff Bases as Esterase Inhibitors: Single Crystal and Spectral Insights

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Organic Inhibitors of Metal Corrosion in Acid Solutions. I. Mechanism of Protective Action

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Electrochemical evaluation of an Acanthocereus tetragonus aqueous extract on aluminum in NaCl (0.6 M) and HCl (1 M) and its modelling using forward and inverse artificial neural networks

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Exploring the hydrophobic effects of quaternary ammonium copolymers on corrosion of casing and tubing steel in acidic solution

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Advanced Strategies for Suppressing the Self-Corrosion of the Anode in Al–Air Batteries

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Synergistic effect in Tragacanth Gum-Ceftriaxone hybrid system as an environmentally friendly corrosion inhibitor for mild steel in acidic solutions

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Preparation, Characterization, and Inhibition Effect of Novel Nonionic Gemini Surfactants Based on Sebacic Acid against Carbon Steel Corrosion in Acidic Medium

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Density functional theory and molecular dynamics simulation of the corrosive particle diffusion in pyrimidine and its derivatives films

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Gallic acid based green corrosion inhibitor for mild steel in 1 M HCl electrochemical and microbial assessment with theoretical validation

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On inhibitor reaction pathway with corrosive species and iron surface: Mechanistic and reactive simulation

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Experimental and theoretical evaluation of the anticorrosive proprieties of new 1,2,3-triazolyl-acridine derivatives

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High temperature long-lasting corrosion inhibition mechanism of sodium dodecyldiphenyl ether disulfonate on ADC12 aluminum alloy in oxalic acid solution

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Theoretical approach for evaluation of phytochemical constituents of Xanthium strumarium leaf extract as green corrosion inhibitor for steel in acidic medium by GC-MS and quantum chemical analyses

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