In-depth insight into the inhibition mechanism of pyrimidine derivatives on the corrosion of carbon steel in CO2-containing environment based on experiments and theoretical calculations

Rational Design and Engineering of Nanomaterials Derived from Prussian Blue and Its Analogs for Electrochemical Water Splitting

(2020) Cuijuan Xuan et al.   Chemistry-An Asian Journal

Graphene oxide nanoplatforms reduction by green plant-sourced organic compounds for construction of an active anti-corrosion coating; experimental/electronic-scale DFT-D modeling studies

(2020) Rahman Mohammadkhani et al.   CHEMICAL ENGINEERING JOURNAL

Intermolecular interaction characteristics of the all-carboatomic ring, cyclo[18]carbon: Focusing on molecular adsorption and stacking

(2020) Zeyu Liu et al.   CARBON

Green corrosion inhibitor for oilfield application I: Electrochemical assessment of 2-(2-pyridyl) benzimidazole for API X60 steel under sweet environment in NACE brine ID196

(2019) Ikenna B. Onyeachu et al.   CORROSION SCIENCE

Newly synthesized pyrimidine compound as CO2 corrosion inhibitor for steel in highly aggressive simulated oilfield brine

(2019) Ikenna B. Onyeachu et al.   JOURNAL OF ADHESION SCIENCE AND TECHNOLOGY

A generally applicable atomic-charge dependent London dispersion correction

(2019) Eike Caldeweyher et al.   JOURNAL OF CHEMICAL PHYSICS

Hexamethylenediamine functionalized Glucose as a new and environmentally benign corrosion inhibitor for copper

(2019) Dheeraj Singh Chauhan et al.   CHEMICAL ENGINEERING RESEARCH & DESIGN

Alternative corrosion inhibitor formulation for carbon steel in CO2-saturated brine solution under high turbulent flow condition for use in oil and gas transportation pipelines

(2019) Ime Bassey Obot et al.   CORROSION SCIENCE

A pyrimidine derivative as a high efficiency inhibitor for the corrosion of carbon steel in oilfield produced water under supercritical CO2 conditions

(2019) B.S. Hou et al.   CORROSION SCIENCE

Antagonistic effect and performance of CO2 corrosion inhibitors: Water chemistry and ionic response

(2019) Mokhtar Che Ismail et al.   JOURNAL OF MOLECULAR LIQUIDS

Integrated operation for the planning of CO2 capture path in CCS–EOR project

(2019) Jian-Xin Guo et al.   JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING

Chitosan Schiff base: an environmentally benign biological macromolecule as a new corrosion inhibitor for oil & gas industries

(2019) K.R. Ansari et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

A cash flow model of an integrated industrial CCS-EOR project in a petrochemical corridor: A case study in Louisiana

(2019) Brian F. Snyder et al.   International Journal of Greenhouse Gas Control

Localized CO 2 corrosion of carbon steel with different microstructures in brine solutions with an imidazoline-based inhibitor

(2018) Huan-huan Zhang et al.   APPLIED SURFACE SCIENCE

A synergistic effect between gluconate and molybdate on corrosion inhibition of recirculating cooling water systems

(2018) Hsin-Hung Ou et al.   CORROSION SCIENCE

Unravelling the Mechanisms of Corrosion Inhibition of Iron by Henna Extract: A Density Functional Theory Study

(2018) Dharmendr Kumar et al.   CORROSION SCIENCE

B97-3c: A revised low-cost variant of the B97-D density functional method

(2018) Jan Gerit Brandenburg et al.   JOURNAL OF CHEMICAL PHYSICS

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

Chitosan Oligosaccharide Derivatives as Green Corrosion Inhibitors for P110 Steel in a Carbon-dioxide-saturated Chloride Solution

(2018) Guodong Cui et al.   CARBOHYDRATE POLYMERS

A New Insight into Corrosion Inhibition Mechanism of Copper in Aerated 3.5 % (by weight) NaCl Solution by Eco-friendly Imidazopyrimidine Dye: Experimental and Theoretical Approach

(2018) Shubhra Pareek et al.   CHEMICAL ENGINEERING JOURNAL

Corrosion inhibition of perimidine derivatives for mild steel in acidic media: Electrochemical and computational studies

(2018) Xiaohong He et al.   JOURNAL OF MOLECULAR LIQUIDS

Effect of benzyl substitution at different sites on the inhibition performance of pyrimidine derivatives for mild steel in highly acidic solution

(2018) B.S. Hou et al.   Journal of the Taiwan Institute of Chemical Engineers

Utilizing Lemon Balm extract as an effective green corrosion inhibitor for mild steel in 1M HCl solution: A detailed experimental, molecular dynamics, Monte Carlo and quantum mechanics study

(2018) Najmeh Asadi et al.   Journal of the Taiwan Institute of Chemical Engineers

Inhibitive effects of inhibitors on the galvanic corrosion between N80 carbon steel and 13Cr stainless steel under dynamic supercritical CO2 conditions

(2018) Z.Z. Wang et al.   CORROSION SCIENCE

Global warming: review on driving forces and mitigation

(2018) Loiy Al-Ghussain   Environmental Progress & Sustainable Energy

Electrochemical, surface and quantum chemical studies of novel imidazole derivatives as corrosion inhibitors for J55 steel in sweet corrosive environment

(2017) Ambrish Singh et al.   JOURNAL OF ALLOYS AND COMPOUNDS

A Robust and Accurate Tight-Binding Quantum Chemical Method for Structures, Vibrational Frequencies, and Noncovalent Interactions of Large Molecular Systems Parametrized for All spd-Block Elements (Z = 1–86)

(2017) Stefan Grimme et al.   Journal of Chemical Theory and Computation

Corrosion inhibition performance of 2,5-bis(4-dimethylaminophenyl)-1,3,4-oxadiazole for carbon steel in HCl solution: Gravimetric, electrochemical and XPS studies

(2016) M. Bouanis et al.   APPLIED SURFACE SCIENCE

Thiopyrimidine derivatives as new and effective corrosion inhibitors for mild steel in hydrochloric acid: Electrochemical and quantum chemical studies

(2016) Priyanka Singh et al.   Journal of the Taiwan Institute of Chemical Engineers

Thiol–thione tautomeric analysis, spectroscopic (FT-IR, Laser-Raman, NMR and UV–vis) properties and DFT computations of 5-(3-pyridyl)-4H-1,2,4-triazole-3-thiol molecule

(2016) Halil Gökce et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

A computational UV–Vis spectroscopic study of the chemical speciation of 2-mercaptobenzothiazole corrosion inhibitor in aqueous solution

(2016) Tiago L. P. Galvão et al.   THEORETICAL CHEMISTRY ACCOUNTS

Modeling of uniform CO2 corrosion of mild steel in gas transportation systems: A review

(2016) Aria Kahyarian et al.   Journal of Natural Gas Science and Engineering

An electrochemical, long-term immersion, and XPS study of 2-mercaptobenzothiazole as a copper corrosion inhibitor in chloride solution

(2014) Matjaž Finšgar et al.   CORROSION SCIENCE

Corrosion inhibitor binding in an acidic medium: Interaction of 2-mercaptobenizmidazole with carbon-steel in hydrochloric acid

(2014) P. Morales-Gil et al.   CORROSION SCIENCE

Adsorption and inhibition effect of two aminopyrimidine derivatives on steel surface in H2SO4 solution

(2014) Xianghong Li et al.   Journal of the Taiwan Institute of Chemical Engineers

Wavefunction and reactivity study of benzo[a]pyrene diol epoxide and its enantiomeric forms

(2014) Tian Lu et al.   STRUCTURAL CHEMISTRY

2-Mercaptobenzoxazole as a copper corrosion inhibitor in chloride solution: Electrochemistry, 3D-profilometry, and XPS surface analysis

(2013) Matjaž Finšgar et al.   CORROSION SCIENCE

An efficient and near linear scaling pair natural orbital based local coupled cluster method

(2013) Christoph Riplinger et al.   JOURNAL OF CHEMICAL PHYSICS

The geometry and electronic structure of Aristolochic acid: possible implications for a frozen resonance

(2013) Sergio Manzetti et al.   JOURNAL OF PHYSICAL ORGANIC CHEMISTRY

A geometrical correction for the inter- and intra-molecular basis set superposition error in Hartree-Fock and density functional theory calculations for large systems

(2012) Holger Kruse et al.   JOURNAL OF CHEMICAL PHYSICS

Chemistry of the interaction between azole type corrosion inhibitor molecules and metal surfaces

(2012) Nataša Kovačević et al.   MATERIALS CHEMISTRY AND PHYSICS

Multiwfn: A multifunctional wavefunction analyzer

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

The ORCA program system

(2011) Frank Neese   Wiley Interdisciplinary Reviews-Computational Molecular 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

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

(2009) Aleksandr V. Marenich et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Mercaptopyrimidines as inhibitors of carbon dioxide corrosion of iron

(2007) V.S. Reznik et al.   CORROSION SCIENCE