Density functional theory and molecular dynamics simulation studies of bio-based fatty hydrazide-corrosion inhibitors on Fe (1 1 0) in acidic media

Development of environmentally benign corrosion inhibitors for organic acid environments for oil-gas industry

(2021) M.A. Quraishi et al.   JOURNAL OF MOLECULAR LIQUIDS

1-Phenyl-1H-tetrazole-5-thiol as corrosion inhibitor for Q235 steel in 1 M HCl medium: Combined experimental and theoretical researches

(2020) Jia Liu et al.   International Journal of Electrochemical Science

Anti-corrosion performance of 8-hydroxyquinoline derivatives for mild steel in acidic medium: Gravimetric, electrochemical, DFT and molecular dynamics simulation investigations

(2020) Dhaybia Douche et al.   JOURNAL OF MOLECULAR LIQUIDS

Corrosion inhibition property of azomethine functionalized triazole derivatives in 1 mol L−1 HCl medium for mild steel: Experimental and theoretical exploration

(2020) Manilal Murmu et al.   JOURNAL OF MOLECULAR LIQUIDS

Corrosion prevention of AISI 304 stainless steel in hydrochloric acid medium using garlic extract as a green corrosion inhibitor: Electrochemical and theoretical studies

(2020) Mohammad Peirow Asfia et al.   JOURNAL OF MOLECULAR LIQUIDS

Corrosion inhibition effect of 5-(4-methylpiperazine)-methylquinoline-8-ol on carbon steel in molar acid medium

(2020) M. Bouassiria et al.   INORGANIC CHEMISTRY COMMUNICATIONS

Synthesis and evaluation of novel corrosion inhibitors utilized from the recycling of polyethylene terephthalate polymer: Gravimetric, electrochemical, quantum chemical modeling, and molecular docking studies

(2020) M.M. Khowdiary et al.   JOURNAL OF MOLECULAR LIQUIDS

An Overview of Molecular Dynamic Simulation for Corrosion Inhibition of Ferrous Metals

(2020) Nur Izzah Nabilah Haris et al.   Metals

Electrochemical and Computational Insights on the Application of Expired Metformin Drug as a Novel Inhibitor for the Sweet Corrosion of C1018 Steel

(2020) Ikenna B. Onyeachu et al.   ACS Omega

Corrosion Inhibition Performance of Coconut Leaf Extract as a Green Corrosion Inhibitor for X65 Steel in Hydrochloric Acid Solution

(2019) Siyi Chen et al.   International Journal of Electrochemical Science

Molecular dynamics and Monte Carlo simulations as powerful tools for study of interfacial adsorption behavior of corrosion inhibitors in aqueous phase: A review

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

Computational study of some thiophene derivatives as aluminium corrosion inhibitors

(2018) Hamza Allal et al.   JOURNAL OF MOLECULAR LIQUIDS

CORROSION INHIBITION OF MILD STEEL IN HYDROCHLORIC ACID SOLUTION USING FATTY ACID DERIVATIVES

(2017) MOHD N K   Journal of Oil Palm Research

Organic synthesis and inhibition action of novel hydrazide derivative for mild steel corrosion in acid solutions

(2016) Zeinab A. Abdallah et al.   MATERIALS CHEMISTRY AND PHYSICS

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

(2013) Sander Pronk et al.   BIOINFORMATICS

Performance and theoretical study on corrosion inhibition of 2-(4-pyridyl)-benzimidazole for mild steel in hydrochloric acid

(2012) Fan Zhang et al.   CORROSION SCIENCE

Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

(2012) Marcus D Hanwell et al.   Journal of Cheminformatics

DFT Study of Interaction of Azoles with Cu(111) and Al(111) Surfaces: Role of Azole Nitrogen Atoms and Dipole–Dipole Interactions

(2011) Nataša Kovačević et al.   Journal of Physical Chemistry C

Experimental and theoretical study on the inhibition performance of triazole compounds for mild steel corrosion

(2010) Ahmed Y. Musa et al.   CORROSION SCIENCE

What Determines the Inhibition Effectiveness of ATA, BTAH, and BTAOH Corrosion Inhibitors on Copper?

(2010) Anton Kokalj et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

(2008) Shuwei Xia et al.   CORROSION SCIENCE