Benzothiazolylhydrazine azomethine derivatives for efficient corrosion inhibition of mild steel in acidic environment: Integrated experimental and density functional theory cum molecular dynamics simulation approach

Novel glycoluril pharmaceutically active compound as a green corrosion inhibitor for the oil and gas industry

(2022) Elyor Berdimurodov et al.   JOURNAL OF ELECTROANALYTICAL CHEMISTRY

Novel gossypol–indole modification as a green corrosion inhibitor for low–carbon steel in aggressive alkaline–saline solution

(2022) Elyor Berdimurodov et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Density functional theory, Monte Carlo simulation and non-covalent interaction study for exploring the adsorption and corrosion inhibiting property of double azomethine functionalised organic molecules

(2022) Manilal Murmu et al.   JOURNAL OF ADHESION SCIENCE AND TECHNOLOGY

An investigation on the synthesis, characterization and anti-corrosion properties of choline based ionic liquids as novel and environmentally friendly inhibitors for mild steel corrosion in 5% HCl

(2022) Mohammad Mobin et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

An overview of computational and theoretical studies on analyzing adsorption performance of phytochemicals as metal corrosion inhibitors

(2022) Saddick Donkor et al.   JOURNAL OF MOLECULAR LIQUIDS

Schiff’s base with center of symmetry as an effective corrosion inhibitor for mild steel in acid medium: Electrochemical & simulation studies

(2021) Wenshu Guo et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Amide functionalized graphene oxide as novel and effective corrosion inhibitor of carbon steel in CO2-saturated NaCl solution

(2021) Hongyu Cen et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

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

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

Two amino acid derivatives as high efficient green inhibitors for the corrosion of carbon steel in CO2-saturated formation water

(2021) Q.H. Zhang et al.   CORROSION SCIENCE

Electronic effect vs. Molecular size effect: Experimental and computational based designing of potential corrosion inhibitors

(2021) Chandrabhan Verma et al.   CHEMICAL ENGINEERING JOURNAL

Heterocyclic biomolecules as green corrosion inhibitors

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

Theoretical studies of dimers and properties of the corrosion inhibitor profile for semicarbazones and thiosemicarbazones

(2021) Ámison Rick L. Silva et al.   JOURNAL OF MOLECULAR LIQUIDS

The recent development of carbon dots as powerful green corrosion inhibitors: A prospective review

(2021) Elyor Berdimurodov et al.   JOURNAL OF MOLECULAR LIQUIDS

Investigation of Losartan Potassium as an eco-friendly corrosion inhibitor for copper in 0.5 M H2SO4

(2020) Hao Li et al.   JOURNAL OF MOLECULAR LIQUIDS

Amino acids as copper corrosion inhibitors: A density functional theory approach

(2020) Dharmendr Kumar et al.   APPLIED SURFACE SCIENCE

Investigations on eco-friendly corrosion inhibitors for mild steel in acid environment: Electrochemical, DFT and Monte Carlo Simulation approach

(2020) Vandana Saraswat et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

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

Molecular structural aspects of organic corrosion inhibitors: Influence of –CN and –NO2 substituents on designing of potential corrosion inhibitors for aqueous media

(2020) Chandrabhan Verma et al.   JOURNAL OF MOLECULAR LIQUIDS

Recent advances in metallic corrosion inhibition: A review

(2020) Shveta Sharma et al.   JOURNAL OF MOLECULAR LIQUIDS

Progress in the development of sour corrosion inhibitors: Past, present, and future perspectives

(2019) I.B. Obot et al.   JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY

Electrochemical, ToF-SIMS and computational studies of 4-amino-5-methyl-4H-1,2,4-triazole-3-thiol as a novel corrosion inhibitor for copper in 3.5% NaCl

(2019) Dheeraj Singh Chauhan et al.   JOURNAL OF MOLECULAR LIQUIDS

Towards a deeper understanding of the inhibition mechanism of a new 1,2,3-triazole derivative for mild steel corrosion in the hydrochloric acid solution using coupled experimental and theoretical methods

(2019) Aziz Boutouil et al.   MATERIALS CHEMISTRY AND PHYSICS

Choline based ionic liquids as sustainable corrosion inhibitors on mild steel surface in acidic medium: Gravimetric, electrochemical, surface morphology, DFT and Monte Carlo simulation studies

(2018) Chandrabhan Verma et al.   APPLIED SURFACE SCIENCE

Organic corrosion inhibitors for industrial cleaning of ferrous and non-ferrous metals in acidic solutions: A review

(2018) Madhusudan Goyal et al.   JOURNAL OF MOLECULAR LIQUIDS

Effect of stereochemical conformation into the corrosion inhibitive behaviour of double azomethine based Schiff bases on mild steel surface in 1 mol L−1 HCl medium: An experimental, density functional theory and molecular dynamics simulation study

(2018) Manilal Murmu et al.   CORROSION SCIENCE

Mechanistic studies of the influence of halogen substituents on the corrosion inhibitive efficiency of selected imidazole molecules: A synergistic computational and experimental approach

(2018) Ismail Abdulazeez et al.   APPLIED SURFACE SCIENCE

Pyranpyrazole derivatives as novel corrosion inhibitors for mild steel useful for industrial pickling process: Experimental and Quantum Chemical study

(2017) Parul Dohare et al.   JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY

Non-covalent green functionalization of boron nitride nanotubes with tunable aryl alkyl ionic liquids: A quantum chemical approach

(2017) Hossein Roohi et al.   JOURNAL OF MOLECULAR LIQUIDS

Amino acid based imidazolium zwitterions as novel and green corrosion inhibitors for mild steel: Experimental, DFT and MD studies

(2017) V. Srivastava et al.   JOURNAL OF MOLECULAR LIQUIDS

Experimental and theoretical studies of benzothiazole derivatives as corrosion inhibitors for carbon steel in 1 M HCl

(2016) Zhiyong Hu et al.   CORROSION SCIENCE

Synthesis and characterization of some nonionic surfactants as corrosion inhibitors for steel in 1.0 M HCl (Experimental and computational study)

(2016) M.A. Bedair et al.   JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY

A comparative density functional theory and molecular dynamics simulation studies of the corrosion inhibitory action of two novel N-heterocyclic organic compounds along with a few others over steel surface

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

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

Adsorption Behavior of Glucosamine-Based, Pyrimidine-Fused Heterocycles as Green Corrosion Inhibitors for Mild Steel: Experimental and Theoretical Studies

(2016) Chandrabhan Verma et al.   Journal of Physical Chemistry C

Electrochemical, Theoretical, and Surface Morphological Studies of Corrosion Inhibition Effect of Green Naphthyridine Derivatives on Mild Steel in Hydrochloric Acid

(2016) Priyanka Singh et al.   Journal of Physical Chemistry C

Novel Schiff-base molecules as efficient corrosion inhibitors for mild steel surface in 1 M HCl medium: experimental and theoretical approach

(2016) Sourav Kr. Saha et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A benchmark for the non-covalent interaction (NCI) index or… is it really all in the geometry?

(2016) Julia Contreras-García et al.   THEORETICAL CHEMISTRY ACCOUNTS

Design and synthesis of Quinazolinone, Benzothiazole derivatives bearing guanidinopropanoic acid moiety and their Schiff bases as cytotoxic and antimicrobial agents

(2016) Palani Venkatesh et al.   Arabian Journal of Chemistry

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

Novel benzimidazole derivatives as corrosion inhibitors of mild steel in the acidic media. Part II: Theoretical studies

(2014) Ziyi Cao et al.   CORROSION SCIENCE

Corrosion and Corrosion Inhibition of Mild Steel in Groundwater at Different Temperatures by Newly Synthesized Benzotriazole and Phosphono Derivatives

(2014) D. Gopi et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Corrosion inhibition and adsorption behavior of new Schiff base surfactant on steel in acidic environment: Experimental and theoretical studies

(2014) S.A. Soliman et al.   JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY

Schiff’s base of pyridyl substituted triazoles as new and effective corrosion inhibitors for mild steel in hydrochloric acid solution

(2013) K.R. Ansari et al.   CORROSION SCIENCE

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

(2013) Ramazan Solmaz   CORROSION SCIENCE

Insights into surface–adsorbate interactions in corrosion inhibition processes at the molecular level

(2013) Muzaffer Özcan et al.   CORROSION SCIENCE

Corrosion inhibition of carbon steel using novel N-(2-(2-mercaptoacetoxy)ethyl)-N,N-dimethyl dodecan-1-aminium bromide during acid pickling

(2012) M.A. Hegazy et al.   CORROSION SCIENCE

On the HSAB based estimate of charge transfer between adsorbates and metal surfaces

(2011) Anton Kokalj   CHEMICAL PHYSICS

The investigation of synergistic inhibition effect of rhodanine and iodide ion on the corrosion of copper in sulphuric acid solution

(2011) Ramazan Solmaz et al.   CORROSION SCIENCE

Novel thiophene symmetrical Schiff base compounds as corrosion inhibitor for mild steel in acidic media

(2011) S. Issaadi et al.   CORROSION SCIENCE

Synthesis of Selected Vinylimidazolium Ionic Liquids and Their Effectiveness as Corrosion Inhibitors for Carbon Steel in Aqueous Sulfuric Acid

(2011) Diego Guzmán-Lucero et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Molecular dynamics and quantum chemical calculation studies on 4,4-dimethyl-3-thiosemicarbazide as corrosion inhibitor in 2.5M H2SO4

(2011) Ahmed Y. Musa et al.   MATERIALS CHEMISTRY AND PHYSICS

Investigation of inhibition effect of rhodanine-N-acetic acid on mild steel corrosion in HCl solution

(2011) Ayşe Ongun Yüce et al.   MATERIALS CHEMISTRY AND PHYSICS

Investigation of the inhibition effect of 5-((E)-4-phenylbuta-1,3-dienylideneamino)-1,3,4-thiadiazole-2-thiol Schiff base on mild steel corrosion in hydrochloric acid

(2010) Ramazan Solmaz   CORROSION SCIENCE

Computational simulation of the molecular structure of some triazoles as inhibitors for the corrosion of metal surface

(2010) Mohamed K. Awad et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Revealing Noncovalent Interactions

(2010) Erin R. Johnson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A novel Schiff base-based cationic gemini surfactants: Synthesis and effect on corrosion inhibition of carbon steel in hydrochloric acid solution

(2009) M.A. Hegazy   CORROSION SCIENCE

Investigation of adsorption and inhibitive effect of 2-mercaptothiazoline on corrosion of mild steel in hydrochloric acid media

(2008) R. Solmaz et al.   ELECTROCHIMICA ACTA