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

Theoretical Studies on Mild Steel Corrosion Inhibition by 5- Substituted 1H-Tetrazoles in Acidic Media

(2019) Mahmud Ibrahim Elusta et al.   International Journal of Electrochemical Science

Corrosion Inhibition of Aluminum using Nonionic Surfactant Compounds with a Six Membered Heterocyclic Ring in 1.0M HCl Solution

(2019) F H. Al-abdali et al.   International Journal of Electrochemical Science

Heterocyclic Schiff bases as corrosion inhibitors for carbon steel in 1 M HCl solution: hydrodynamic and synergetic effect

(2019) Imene Benmahammed et al.   JOURNAL OF DISPERSION 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

Highly effective mild steel corrosion inhibition in 1 M HCl solution by novel green aqueous Mustard seed extract: Experimental, electronic-scale DFT and atomic-scale MC/MD explorations

(2019) Ghasem Bahlakeh 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

Approaches to investigate the role of chelation in the corrosivity of biomass-derived oils

(2019) Raynella M. Connatser et al.   BIOMASS & BIOENERGY

Cobalt-modified molybdenum carbide as a selective catalyst for hydrodeoxygenation of furfural

(2018) Zhexi Lin et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

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

Microwave assisted efficient furfural production using nano-sized surface-sulfonated diamond powder

(2018) Frederic Delbecq et al.   CATALYSIS COMMUNICATIONS

Evaluation of Ginkgo leaf extract as an eco-friendly corrosion inhibitor of X70 steel in HCl solution

(2018) Yujie Qiang et al.   CORROSION SCIENCE

Corrosion inhibition properties of a green hybrid pigment based on Pr-Urtica Dioica plant extract

(2018) M. Motamedi et al.   JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY

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

Corrosion inhibition performance of newly synthesized 5-alkoxymethyl-8-hydroxyquinoline derivatives for carbon steel in 1 M HCl solution: experimental, DFT and Monte Carlo simulation studies

(2018) M. El Faydy et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A Comparative Study of Hydrodeoxygenation of Furfural Over Fe/Pt(111) and Fe/Mo2C Surfaces

(2018) Weiming Wan et al.   TOPICS IN CATALYSIS

Hydrolysis of Hemicellulose and Derivatives—A Review of Recent Advances in the Production of Furfural

(2018) Frederic Delbecq et al.   Frontiers in Chemistry

Self-assembly of hierarchical N-heterocycles-inorganic materials into three-dimensional structure for superior corrosion protection

(2018) Wail Al Zoubi et al.   CHEMICAL ENGINEERING JOURNAL

Topology of electron density and electrostatic potential of HIV reverse transcriptase inhibitor zidovudine from high resolution X-ray diffraction and charge density analysis

(2018) Ancy Iruthayaraj et al.   JOURNAL OF MOLECULAR STRUCTURE

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

A computational study on corrosion inhibition performances of novel quinoline derivatives against the corrosion of iron

(2017) Şaban Erdoğan et al.   JOURNAL OF MOLECULAR STRUCTURE

Activity of continuous flow synthesized Pd-based nanocatalysts in the flow hydroconversion of furfural

(2017) Antonio J. Garcia-Olmo et al.   TETRAHEDRON

Application of sulfonated carbon-based catalyst for the furfural production from d -xylose and xylan in a microwave-assisted biphasic reaction

(2017) Yantao Wang et al.   Molecular Catalysis

CF3 : An Electron-Withdrawing Substituent for Aromatic Anion Acceptors? “Side-On” versus “On-Top” Binding of Halides

(2016) Markus Albrecht et al.   CHEMISTRY-A EUROPEAN JOURNAL

Conversion of xylose, xylan and rice husk into furfural via betaine and formic acid mixture as novel homogeneous catalyst in biphasic system by microwave-assisted dehydration

(2016) Frederic Delbecq et al.   JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL

Experimental, quantum chemical and Monte Carlo simulation studies of 3,5-disubstituted-4-amino-1,2,4-triazoles as corrosion inhibitors on mild steel in acidic medium

(2016) M. ElBelghiti et al.   JOURNAL OF MOLECULAR LIQUIDS

Quantum chemical and molecular dynamics simulation studies on inhibition performances of some thiazole and thiadiazole derivatives against corrosion of iron

(2016) Savaş Kaya et al.   JOURNAL OF MOLECULAR LIQUIDS

Furfural Production from d-Xylose and Xylan by Using Stable Nafion NR50 and NaCl in a Microwave-Assisted Biphasic Reaction

(2016) Sarah Le Guenic et al.   MOLECULES

Density Functional Theory (DFT) modeling and Monte Carlo simulation assessment of inhibition performance of some carbohydrazide Schiff bases for steel corrosion

(2016) I.B. Obot 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

The roles of mercapto, benzene, and methyl groups in the corrosion inhibition of imidazoles on copper: II. Inhibitor–copper bonding

(2015) Nataša Kovačević et al.   CORROSION SCIENCE

Microwave-assisted dehydration of D-xylose into furfural by diluted inexpensive inorganic salts solution in a biphasic system

(2015) Sarah Le Guenic et al.   JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL

Integrated furfural production as a renewable fuel and chemical platform from lignocellulosic biomass

(2013) Charles M Cai et al.   JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY

Crystal morphology study of N,N′-diacetylchitobiose by molecular dynamics simulation

(2011) Liulin Yang et al.   CARBOHYDRATE RESEARCH

Probability distribution of pitting corrosion depth and rate in underground pipelines: A Monte Carlo study

(2009) F. Caleyo et al.   CORROSION SCIENCE

Antifungal drugs as corrosion inhibitors for aluminium in 0.1M HCl

(2009) I.B. Obot et al.   CORROSION SCIENCE

Theoretical study of benzimidazole and its derivatives and their potential activity as corrosion inhibitors

(2009) I.B. Obot et al.   CORROSION SCIENCE

Monte Carlo simulations of corrosion inhibition of mild steel in 0.5 M sulphuric acid by some green corrosion inhibitors

(2009) K. F. Khaled   JOURNAL OF SOLID STATE ELECTROCHEMISTRY