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

An environmentally friendly formulation based on Cannabis sativa L. seed oil for corrosion inhibition of E24 steel in HCl medium: Experimental and theoretical study

(2022) Mohamed Damej et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Computational insights into quinoxaline-based corrosion inhibitors of steel in HCl: Quantum chemical analysis and QSPR-ANN studies

(2022) Taiwo W. Quadri et al.   Arabian Journal of Chemistry

Performance and interaction mechanism of a new highly efficient benzimidazole-based epoxy resin for corrosion inhibition of carbon steel in HCl: A study based on experimental and first-principles DFTB simulations

(2022) M. Damej et al.   JOURNAL OF MOLECULAR STRUCTURE

Molecular modeling investigation on mechanism of cationic dyes removal from aqueous solutions by mesoporous materials

(2021) Zahra Heidari et al.   JOURNAL OF MOLECULAR LIQUIDS

Molecular modeling of organic corrosion inhibitors: calculations, pitfalls, and conceptualization of molecule–surface bonding

(2021) Anton Kokalj   CORROSION SCIENCE

Hydrazone-based green corrosion inhibitors for API grade carbon steel in HCl: Insights from electrochemical, XPS, and computational studies

(2021) Oday Mohammad Ahmad Khamaysa et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Capturing the synergistic effects between corrosion inhibitor molecules using density functional theory and ReaxFF simulations - A case for benzyl azide and butyn-1-ol on Cu surface

(2021) Dharmendr Kumar et al.   CORROSION SCIENCE

Molecular-MD/atomic-DFT theoretical and experimental studies on the quince seed extract corrosion inhibition performance on the acidic-solution attack of mild-steel

(2021) A.R. Shahmoradi et al.   JOURNAL OF MOLECULAR LIQUIDS

Facile preparation of new hydrazone compounds and their application for long-term corrosion inhibition of N80 steel in 15% HCl: An experimental study combined with DFTB calculations

(2021) Hassane Lgaz et al.   JOURNAL OF MOLECULAR LIQUIDS

A combined computational & electrochemical exploration of the Ammi visnaga L. extract as a green corrosion inhibitor for carbon steel in HCl solution

(2021) Aouatife Zaher et al.   Arabian Journal of Chemistry

Corrosion inhibitors: physisorbed or chemisorbed?

(2021) Anton Kokalj   CORROSION SCIENCE

Multidimensional insights into the corrosion inhibition of 3,3-Dithiodipropionic acid on Q235 steel in H2SO4 medium: A combined experimental and in silico investigation

(2020) Lei Guo et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Imidazole derivatives as corrosion inhibitors for copper: A DFT and reactive force field study

(2020) Dharmendr Kumar et al.   CORROSION SCIENCE

Simplistic correlations between molecular electronic properties and inhibition efficiencies: Do they really exist?

(2020) Anton Kokalj et al.   CORROSION SCIENCE

Assessing corrosion inhibition characteristics of hydrazone derivatives on mild steel in HCl: Insights from electronic-scale DFT and atomic-scale molecular dynamics

(2020) Hassane Lgaz et al.   JOURNAL OF MOLECULAR LIQUIDS

Green Corrosion Inhibition of Mild Steel by Hydrazone Derivatives in 1.0 M HCl

(2020) Abdelkarim Chaouiki et al.   Coatings

A Joint Experimental and Theoretical Investigation of the Corrosion Inhibition Behavior and Mechanism of Hydrazone Derivatives for Mild Steel in HCl Solution

(2020) Maryam Chafiq et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Exploring the corrosion inhibition effect of two hydrazone derivatives for mild steel corrosion in 1.0 M HCl solution via electrochemical and surface characterization studies

(2020) Abdelkarim Chaouiki et al.   International Journal of Electrochemical Science

Enhanced corrosion inhibition of carbon steel in HCl solution by a newly synthesized hydrazone derivative: Mechanism exploration from electrochemical, XPS, and computational studies

(2020) Oday Mohammad Ahmad Khamaysa et al.   JOURNAL OF MOLECULAR LIQUIDS

Unveiled understanding on corrosion inhibition mechanisms of hydrazone derivatives based on naproxen for mild steel in HCl: A joint experimental/theoretical study

(2020) Maryam Chafiq et al.   JOURNAL OF MOLECULAR LIQUIDS

Corrosion inhibition potential of 2-[(5-methylpyrazol-3-yl)methyl]benzimidazole against carbon steel corrosion in 1 M HCl solution: Combining experimental and theoretical studies

(2020) Karim Chkirate et al.   JOURNAL OF MOLECULAR LIQUIDS

Insights into corrosion inhibition mechanism of mild steel in 1 M HCl solution by quinoxaline derivatives: electrochemical, SEM/EDAX, UV-visible, FT-IR and theoretical approaches

(2020) M. Ouakki et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Synthesis and evaluation of some new hydrazones as corrosion inhibitors for mild steel in acidic media

(2019) Hassane Lgaz et al.   RESEARCH ON CHEMICAL INTERMEDIATES

Solvent-free microwave assisted synthesis and corrosion inhibition study of a series of hydrazones derived from thiophene derivatives: Experimental, surface and theoretical study

(2019) A.K. Singh et al.   JOURNAL OF MOLECULAR LIQUIDS

A combined experimental and theoretical study of green corrosion inhibition of mild steel in HCl solution by aqueous Citrullus lanatus fruit (CLF) extract

(2019) Ali Dehghani et al.   JOURNAL OF MOLECULAR LIQUIDS

Determining Gibbs energies of adsorption from corrosion inhibition efficiencies: Is it a reliable approach?

(2019) Monika S. Walczak et al.   CORROSION SCIENCE

Synthesis and corrosion inhibition evaluation of a new schiff base hydrazone for mild steel corrosion in HCl medium: electrochemical, DFT, and molecular dynamics simulations studies

(2019) Maryam Chafiq et al.   JOURNAL OF ADHESION SCIENCE AND TECHNOLOGY

Development of micellar electrokinetic chromatography method for the determination of three defined impurities in indomethacin

(2018) Petra Riasová et al.   ELECTROPHORESIS

Substituents effect on corrosion inhibition performance of organic compounds in aggressive ionic solutions: A review

(2018) Chandrabhan Verma et al.   JOURNAL OF MOLECULAR LIQUIDS

Experimental and Theoretical Studies on Corrosion Inhibition of Niobium and Tantalum Surfaces by Carboxylated Graphene Oxide

(2018) Valbonë Mehmeti et al.   Materials

A New Insight into Corrosion Inhibition Mechanism of Copper in Aerated 3.5 % (by weight) NaCl Solution by Eco-friendly Imidazopyrimidine Dye: Experimental and Theoretical Approach

(2018) Shubhra Pareek et al.   CHEMICAL ENGINEERING JOURNAL

Improved corrosion resistance of mild steel in acidic solution by hydrazone derivatives: An experimental and computational study

(2018) Hassane Lgaz et al.   Arabian Journal of Chemistry

Experimental and Theoretical Study on the Synergistic Inhibition Effect of Pyridine Derivatives and Sulfur-Containing Compounds on the Corrosion of Carbon Steel in CO2-Saturated 3.5 wt.% NaCl Solution

(2018) Junlei Tang et al.   MOLECULES

(S)‑6‑Phenyl‑2,3,5,6‑tetrahydroimidazo[2,1‑b] thiazole hydrochloride as corrosion inhibitor of steel in acidic solution: Gravimetrical, electrochemical, surface morphology and theoretical simulation

(2018) Ahmed A. Fadhil et al.   JOURNAL OF MOLECULAR LIQUIDS

Synthesis, spectral analysis, anti-corrosive activity and theoretical study of an aromatic hydrazone derivative

(2018) Nadjib Chafai et al.   JOURNAL OF MOLECULAR STRUCTURE

Inhibition of C-steel Corrosion by Green Tea Extract in Hydrochloric Solution

(2017) R Salghi et al.   International Journal of Electrochemical Science

Toward understanding the adsorption mechanism of large size organic corrosion inhibitors on an Fe(110) surface using the DFTB method

(2017) Lei Guo et al.   RSC Advances

DFT simulation of the adsorption of sodium silicate species on kaolinite surfaces

(2016) Yonghua Han et al.   APPLIED SURFACE SCIENCE

Evaluating electronic structure of quinazolinone and pyrimidinone molecules for its corrosion inhibition effectiveness on target specific mild steel in the acidic medium: A combined DFT and MD simulation study

(2016) Sourav Kr. Saha et al.   JOURNAL OF MOLECULAR LIQUIDS

4(N,N-dimethylamino) benzaldehyde nicotinic hydrazone as corrosion inhibitor for mild steel in 1M HCl solution: An experimental and theoretical study

(2016) Dharmendra Kumar Singh et al.   JOURNAL OF MOLECULAR LIQUIDS

Inhibition activity of new thiazole hydrazones towards mild steel corrosion in acid media by thermodynamic, electrochemical and quantum chemical methods

(2016) Turuvekere K. Chaitra et al.   Journal of the Taiwan Institute of Chemical Engineers

Quinoxaline derivatives as corrosion inhibitors for mild steel in hydrochloric acid medium: Electrochemical and quantum chemical studies

(2016) Lukman O. Olasunkanmi et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Density functional theory (DFT) as a powerful tool for designing new organic corrosion inhibitors. Part 1: An overview

(2015) I.B. Obot et al.   CORROSION SCIENCE

Correlating electronic structure with corrosion inhibition potentiality of some bis-benzimidazole derivatives for mild steel in hydrochloric acid: Combined experimental and theoretical studies

(2015) Alokdut Dutta et al.   CORROSION SCIENCE

Adsorption behaviour of o-hydroxy acetophenone benzoyl hydrazone on mild steel/hydrochloric acid interface

(2015) Ashish Kumar Singh et al.   JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY

Investigation of adsorption and corrosion inhibition of mild steel in hydrochloric acid solution by 5-(4-Dimethylaminobenzylidene)rhodanine

(2013) Ramazan Solmaz   CORROSION SCIENCE

Investigation of corrosion inhibition mechanism and stability of Vitamin B1 on mild steel in 0.5M HCl solution

(2013) Ramazan Solmaz   CORROSION SCIENCE

Adsorption of Dipyrrin-Based Dye Complexes on a Rutile TiO2(110) Surface

(2012) Matthew Weston et al.   Journal of Physical Chemistry C

Experimental and theoretical studies of thiazoles as corrosion inhibitors for mild steel in sulphuric acid solution

(2011) Ali Döner et al.   CORROSION SCIENCE

The use of quantum chemical methods in corrosion inhibitor studies

(2008) Gökhan Gece   CORROSION SCIENCE

Covalent radii revisited

(2008) Beatriz Cordero et al.   DALTON TRANSACTIONS