Corrosion inhibition abilities of phytochemicals: a combined computational studies

New Heterocyclic Compound as Carbon Steel Corrosion Inhibitor in 1 M H2SO4, High Efficiency at Low Concentration: Experimental and Theoretical Studies

(2022) Mahmood A. Albo Hay Allah et al.   JOURNAL OF ADHESION SCIENCE AND TECHNOLOGY

Electrochemical, thermodynamic and molecular dynamics studies of some benzoic acid derivatives on the corrosion inhibition of 316 stainless steel in HCl solutions

(2021) Mustapha Alahiane et al.   JOURNAL OF MOLECULAR LIQUIDS

Poly(sodium acrylate) and Poly(acrylic acid sodium) as an eco-friendly corrosion inhibitor of mild steel in normal hydrochloric acid: experimental, spectroscopic and theoretical approach

(2021) A. Ouass et al.   JOURNAL OF APPLIED ELECTROCHEMISTRY

Electropolymerized durable coatings deposited onto Pt-electrode as corrosion inhibitor for mild steel

(2021) Ghada M. Abd El-Hafeez et al.   JOURNAL OF ADHESION SCIENCE AND TECHNOLOGY

Experimental and theoretical studies of Inula viscosa extract as a novel eco-friendly corrosion inhibitor for carbon steel in 1 M HCl

(2021) Amel Kouache et al.   JOURNAL OF ADHESION SCIENCE AND TECHNOLOGY

Experimental, computational studies and spectroscopic analysis on the effective Aeluropus lagopoides extract as water-soluble green corrosion inhibitor for carbon steel in 1 M HCl solution

(2021) Mariem. M. Motawea   JOURNAL OF ADHESION SCIENCE AND TECHNOLOGY

Experimental and theoretical analysis of baclofen as a potential corrosion inhibitor for mild steel surface in HCl medium

(2021) Shveta Sharma et al.   JOURNAL OF ADHESION SCIENCE AND TECHNOLOGY

A study of the inhibitive effect for corrosion of steel in 1.0 M HCl using a new nonionic surfactant based on coumarin moiety: chemical, electrochemical and quantum mechanics calculations

(2021) Mahmoud A. Bedair et al.   JOURNAL OF ADHESION SCIENCE AND TECHNOLOGY

Trifunctional epoxy polymer as corrosion inhibition material for carbon steel in 1.0 M HCl: MD simulations, DFT and complexation computations

(2020) Rachid Hsissou et al.   INORGANIC CHEMISTRY COMMUNICATIONS

Highly durable macromolecular epoxy resin as anticorrosive coating material for carbon steel in 3% NaCl: Computational supported experimental studies

(2020) Omar Dagdag et al.   JOURNAL OF APPLIED POLYMER SCIENCE

Evaluation of corrosion inhibition performance of phosphorus polymer for carbon steel in [1 M] HCl: Computational studies (DFT, MC and MD simulations)

(2020) Rachid Hsissou et al.   Journal of Materials Research and Technology-JMR&T

Simple preparation and characterization of novel 8-Hydroxyquinoline derivatives as effective acid corrosion inhibitor for mild steel: Experimental and theoretical studies

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

Corrosion inhibition and adsorption properties of cerium-amino acid complexes on mild steel in acidic media: Experimental and DFT studies

(2020) Xia Liu et al.   JOURNAL OF ADHESION SCIENCE AND TECHNOLOGY

New Epoxy sugar based glucose derivatives as eco friendly corrosion inhibitors for the carbon steel in 1.0 M HCl: Experimental and theoretical investigations

(2020) M. Rbaa et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Designing of phosphorous based highly functional dendrimeric macromolecular resin as an effective coating material for carbon steel in NaCl : Computational and experimental studies

(2020) Omar Dagdag et al.   JOURNAL OF APPLIED POLYMER SCIENCE

An experimental-coupled empirical investigation on the corrosion inhibitory action of 7-alkyl-8-Hydroxyquinolines on C35E steel in HCl electrolyte

(2020) M. El Faydy et al.   JOURNAL OF MOLECULAR LIQUIDS

A theoretical and experimental study of the adsorptive removal of hexavalent chromium ions using graphene oxide as an adsorbent

(2020) Ardhmeri Alija et al.   Open Chemistry

Epoxy resins and their zinc composites as novel anti-corrosive materials for copper in 3% sodium chloride solution: Experimental and computational studies

(2020) O. Dagdag et al.   JOURNAL OF MOLECULAR LIQUIDS

Electrochemical and theoretical studies of some monoterpenic thiazolidinones as corrosion inhibitors for steel in acidic media

(2020) Rachid Idouhli et al.   JOURNAL OF ADHESION SCIENCE AND TECHNOLOGY

Interactions between the Aryldiazonium Cations and Graphene Oxide: A DFT Study

(2019) Avni Berisha   Journal of Chemistry

Extraction and experimental studies of Citrus aurantifolia as an economical and green corrosion inhibitor for mild steel in acidic media

(2019) Rajesh Haldhar et al.   JOURNAL OF ADHESION SCIENCE AND TECHNOLOGY

Chromenes as efficient corrosion inhibitor for mild steel in HCl solution

(2019) Priya Kumari Paul et al.   JOURNAL OF ADHESION SCIENCE AND TECHNOLOGY

1-(2-Hydroxyethyl)-2-imidazolidinone as corrosion inhibitor of mild steel in 0.5 M HCl solution: thermodynamic, electrochemical and theoretical studies

(2019) Ayşen Keleşoğlu et al.   JOURNAL OF ADHESION SCIENCE AND TECHNOLOGY

Novel derivative epoxy resin TGETET as a corrosion inhibition of E24 carbon steel in 1.0 M HCl solution. Experimental and computational (DFT and MD simulations) methods

(2019) Rachid Hsissou et al.   JOURNAL OF MOLECULAR LIQUIDS

DGEBA‐polyaminoamide as effective anti‐corrosive material for 15CDV6 steel in NaCl medium: Computational and experimental studies

(2019) Omar Dagdag et al.   JOURNAL OF APPLIED POLYMER SCIENCE

Anticorrosive property of hexafunctional epoxy polymer HGTMDAE for E24 carbon steel corrosion in 1.0 M HCl: gravimetric, electrochemical, surface morphology and molecular dynamic simulations

(2019) Rachid Hsissou et al.   POLYMER BULLETIN

The influence of the grafted aryl groups on the solvation properties of the graphyne and graphdiyne - a MD study

(2019) Avni Berisha   Open Chemistry

Experimental and computational investigations of 2-amino-6-bromobenzothiazole as a corrosion inhibitor for copper in sulfuric acid

(2018) Jie Chen et al.   JOURNAL OF ADHESION SCIENCE AND TECHNOLOGY

Corrosion resistance of mild steel in 0.5 M H2SO4 solution by plant extract of Alkana tinctoria: Experimental and theoretical studies

(2018) Rajesh Haldhar et al.   European Physical Journal Plus

Evaluating Charge Equilibration Methods To Generate Electrostatic Fields in Nanoporous Materials

(2018) Daniele Ongari et al.   Journal of Chemical Theory and Computation

Experimental, DFT and molecular dynamics simulation on the inhibition performance of the DGDCBA epoxy polymer against the corrosion of the E24 carbon steel in 1.0 M HCl solution

(2018) Rachid Hsissou et al.   JOURNAL OF MOLECULAR STRUCTURE

The COSMO and COSMO-RS solvation models

(2017) Andreas Klamt   Wiley Interdisciplinary Reviews-Computational Molecular Science

COMPASS II: extended coverage for polymer and drug-like molecule databases

(2016) Huai Sun et al.   JOURNAL OF MOLECULAR MODELING

Theoretical and experimental studies of the corrosion behavior of some thiazole derivatives toward mild steel in sulfuric acid media

(2015) Avni Berisha et al.   Macedonian Journal of Chemistry and Chemical Engineering

Physisorption vs grafting of aryldiazonium salts onto iron: A corrosion study

(2011) Avni Berisha et al.   ELECTROCHIMICA ACTA