Natural corrosion inhibitor of renewable eco-waste for SS-410 in sulfuric acid medium: adsorption, electrochemical, and computational studies

Detailed theoretical DFT computation/molecular simulation and electrochemical explorations of Thymus vulgaris leave extract for effective mild-steel corrosion retardation in HCl solution

(2021) Seyed Mohammad Lashgari et al.   JOURNAL OF MOLECULAR LIQUIDS

A comprehensive electronic-scale DFT modeling, atomic-level MC/MD simulation, and electrochemical/surface exploration of active nature-inspired phytochemicals based on Heracleum persicum seeds phytoextract for effective retardation of the acidic-induced corrosion of mild steel

(2021) Amir Hossein Mostafatabar et al.   JOURNAL OF MOLECULAR LIQUIDS

Superior inhibition action of the Mish Gush (MG) leaves extract toward mild steel corrosion in HCl solution: Theoretical and electrochemical studies

(2021) M.H. Shahini et al.   JOURNAL OF MOLECULAR LIQUIDS

The role of ethanolic extract of Stachys byzantina's leaves for effective decreasing the mild-steel (MS) degradation in the acidic solution; coupled theoretical/experimental assessments

(2021) M.H. Shahini et al.   JOURNAL OF MOLECULAR LIQUIDS

Theoretical and surface/electrochemical investigations of walnut fruit green husk extract as effective inhibitor for mild-steel corrosion in 1M HCl electrolyte

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

Investigation of plant waste as a renewable biomass source to develop efficient, economical and eco-friendly corrosion inhibitor

(2021) Rajesh Haldhar et al.   JOURNAL OF MOLECULAR LIQUIDS

Decyltriphenylphosphonium bromide containing hydrophobic alkyl-chain as a potential corrosion inhibitor for mild steel in sulfuric acid: Theoretical and experimental studies

(2021) Madhusudan Goyal et al.   JOURNAL OF MOLECULAR LIQUIDS

Corrosion inhibition, surface adsorption and computational studies of Swertia chirata extract: A sustainable and green approach

(2021) Rajesh Haldhar et al.   MATERIALS CHEMISTRY AND PHYSICS

Combined atomic-scale/DFT-theoretical simulations & electrochemical assessments of the chamomile flower extract as a green corrosion inhibitor for mild steel in HCl solution

(2021) M.H. Shahini et al.   JOURNAL OF MOLECULAR LIQUIDS

Molecular-dynamic/DFT-electronic theoretical studies coupled with electrochemical investigations of the carrot pomace extract molecules inhibiting potency toward mild steel corrosion in 1 M HCl solution

(2021) Amir Hossein Mostafatabar et al.   JOURNAL OF MOLECULAR LIQUIDS

Furfural Analogs as Sustainable Corrosion Inhibitors—Predictive Efficiency Using DFT and Monte Carlo Simulations on the Cu(111), Fe(110), Al(111) and Sn(111) Surfaces in Acid Media

(2020) Hassan Bourzi et al.   Sustainability

Understanding of anti-corrosive behavior of some tetrazole derivatives in acidic medium: adsorption on Cu (111) surface using quantum chemical calculations and Monte Carlo simulations

(2020) Hassan Bourzi et al.   SURFACE SCIENCE

Atomic-scale investigation onto the inhibition process of three 1,5-benzodiazepin-2-one derivatives against iron corrosion in acidic environment

(2020) Brahim El Ibrahimi   Colloid and Interface Science Communications

Evaluation of Gloriosa superba seeds extract as corrosion inhibition for low carbon steel in sulfuric acidic medium: A combined experimental and computational studies

(2020) Rajesh Haldhar et al.   JOURNAL OF MOLECULAR LIQUIDS

A detailed electrochemical/theoretical exploration of the aqueous Chinese gooseberry fruit shell extract as a green and cheap corrosion inhibitor for mild steel in acidic solution

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

Novel cost-effective and high-performance green inhibitor based on aqueous Peganum harmala seed extract for mild steel corrosion in HCl solution: Detailed experimental and electronic/atomic level computational explorations

(2019) Ghasem Bahlakeh et al.   JOURNAL OF MOLECULAR LIQUIDS

A detailed atomic level computational and electrochemical exploration of the Juglans regia green fruit shell extract as a sustainable and highly efficient green corrosion inhibitor for mild steel in 3.5 wt% NaCl solution

(2019) Seyyed Arash Haddadi et al.   JOURNAL OF MOLECULAR LIQUIDS

Elucidating detailed experimental and fundamental understandings concerning the green organic-inorganic corrosion inhibiting molecules onto steel in chloride solution

(2019) Mohammad Ramezanzadeh et al.   JOURNAL OF MOLECULAR LIQUIDS

Effect of solution's pH and molecular structure of three linear α-amino acids on the corrosion of tin in salt solution: A combined experimental and theoretical approach

(2019) Brahim El Ibrahimi et al.   JOURNAL OF MOLECULAR STRUCTURE

Anticorrosive Effects of Some Thiophene Derivatives Against the Corrosion of Iron: A Computational Study

(2018) Lei Guo et al.   Frontiers in Chemistry

Theoretical evaluation of some α-amino acids for corrosion inhibition of copper in acidic medium: DFT calculations, Monte Carlo simulations and QSPR studies

(2018) Brahim El Ibrahimi et al.   JOURNAL OF KING SAUD UNIVERSITY SCIENCE

Computational study of some triazole derivatives (un- and protonated forms) and their copper complexes in corrosion inhibition process

(2016) Brahim El Ibrahimi et al.   JOURNAL OF MOLECULAR STRUCTURE

A Simple Method for the Calculation of Lattice Energies of Inorganic Ionic Crystals Based on the Chemical Hardness

(2015) Savaş Kaya et al.   INORGANIC CHEMISTRY

Adsorption and electrochemical studies of Pimenta dioica leaf extracts as corrosion inhibitor for mild steel in hydrochloric acid

(2015) K.K. Anupama et al.   MATERIALS CHEMISTRY AND PHYSICS

A new equation for calculation of chemical hardness of groups and molecules

(2015) Savaş Kaya et al.   MOLECULAR PHYSICS

A new method for calculation of molecular hardness: A theoretical study

(2015) Savaş Kaya et al.   Computational and Theoretical Chemistry

A new equation based on ionization energies and electron affinities of atoms for calculating of group electronegativity

(2015) Savaş Kaya et al.   Computational and Theoretical Chemistry

Corrosion inhibition of mild steel in hydrochloric acid solution by Schiff base furoin thiosemicarbazone

(2009) K. Stanly Jacob et al.   CORROSION SCIENCE