Theoretical challenges in understanding the inhibition mechanism of copper corrosion in acid media in the presence of three triazole derivatives

Quantum chemical calculation studies for interactions of antiwear lubricant additives with metal surfaces

(2014) Vinay Jaiswal et al.   RSC Advances

The relation between adsorption bonding and corrosion inhibition of azole molecules on copper

(2013) Nataša Kovačević et al.   CORROSION SCIENCE

Electrochemical and quantum chemical assessment of two organic compounds from pyridine derivatives as corrosion inhibitors for mild steel in HCl solution under stagnant condition and hydrodynamic flow

(2013) A. Kosari et al.   CORROSION SCIENCE

DFT study of the adsorption of the corrosion inhibitor 2-mercaptoimidazole onto Fe(100) surface

(2013) Juan Radilla et al.   ELECTROCHIMICA ACTA

Inhibitive Properties and Adsorption of Purpald as a Corrosion Inhibitor for Copper in Nitric Acid Medium

(2013) Abdelkader Zarrouk et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

The Effect of Surface Geometry of Copper on Adsorption of Benzotriazole and Cl. Part I

(2013) Sebastijan Peljhan et al.   Journal of Physical Chemistry C

Inhibition of carbon steel corrosion in CO2-saturated brine using some newly surfactants based on palm oil: Experimental and theoretical investigations

(2013) Hany M. Abd El-Lateef et al.   MATERIALS CHEMISTRY AND PHYSICS

Physicochemical aspects of inhibition of acid corrosion of metals by unsaturated organic compounds

(2013) Ya G Avdeev et al.   RUSSIAN CHEMICAL REVIEWS

The adsorption and dissociation of H2S on Cu(100) surface: A DTF study

(2013) Shenghui Chen et al.   SURFACE SCIENCE

Synergistic effect between 2-oleyl-1-oleylamidoethyl imidazoline ammonium methylsulfate and halide ion by molecular dynamics simulation

(2013) Ailing Guo et al.   Computational and Theoretical Chemistry

Origin of the synergistic effect between polysaccharide and thiourea towards adsorption and corrosion inhibition for mild steel in sulphuric acid

(2013) Pialee Roy et al.   RSC Advances

Density functional theory study of imidazole, benzimidazole and 2-mercaptobenzimidazole adsorption onto clean Cu(111) surface

(2012) Shuangqing Sun et al.   CORROSION SCIENCE

Insights into the nature of the coupling interactions between uracil corrosion inhibitors and copper: A DFT and molecular dynamics study

(2012) Weihua Wang et al.   CORROSION SCIENCE

Synergistic effect of 2-oleyl-1-oleylamidoethyl imidazoline ammonium methylsulfate and halide ions on the inhibition of mild steel in HCl

(2012) Songqing Hu et al.   MATERIALS CHEMISTRY AND PHYSICS

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

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

Effective inhibition of mild steel corrosion in 1 M hydrochloric acid using substituted triazines: an experimental and theoretical study

(2012) Sam John et al.   RSC Advances

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

(2011) Liulin Yang et al.   CARBOHYDRATE RESEARCH

Molecular dynamics simulation of corrosive particle diffusion in benzimidazole inhibitor films

(2011) Jun Zhang et al.   CORROSION SCIENCE

Multiwfn: A multifunctional wavefunction analyzer

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

Surface properties of 3dtransition metals

(2011) M.P.J. Punkkinen et al.   PHILOSOPHICAL MAGAZINE

DFT study of gas-phase adsorption of benzotriazole on Cu(111), Cu(100), Cu(110), and low coordinated defects thereon

(2011) Sebastijan Peljhan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electrostatic model for treating long-range lateral interactions between polar molecules adsorbed on metal surfaces

(2011) Anton Kokalj   PHYSICAL REVIEW B

Highly efficient polyurethane ionomer corrosion inhibitor: the effect of chain structure

(2011) Sitashree Banerjee et al.   RSC Advances

Understanding corrosion inhibition mechanisms—experimental and theoretical approach

(2011) Emeka E. Oguzie et al.   RSC Advances

High-yield Synthesis of Branched Gold Nanocrystals by a Sodium Diphenylamine-4-Sulfonate Reduction Process in Polyethylene Glycol Aqueous Solution

(2010) Qi Liu et al.   CHINESE JOURNAL OF CHEMISTRY

Analysis of molecular electronic structure of imidazole- and benzimidazole-based inhibitors: A simple recipe for qualitative estimation of chemical hardness

(2010) Nataša Kovačević et al.   CORROSION SCIENCE

Is the analysis of molecular electronic structure of corrosion inhibitors sufficient to predict the trend of their inhibition performance

(2010) Anton Kokalj   ELECTROCHIMICA ACTA

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

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

Density Functional Theory Study of ATA, BTAH, and BTAOH as Copper Corrosion Inhibitors: Adsorption onto Cu(111) from Gas Phase

(2010) Anton Kokalj et al.   LANGMUIR

Monitoring the interaction of adsorbates on metal surfaces by surface site engineering: the case of ethoxy on Cu, Pd, Ag and Au regular and stepped surfaces

(2010) Juan Radilla et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Mean square displacement analysis of single-particle trajectories with localization error: Brownian motion in an isotropic medium

(2010) Xavier Michalet   PHYSICAL REVIEW E

Dry and wet lab studies for some benzotriazole derivatives as possible corrosion inhibitors for copper in 1.0M HNO3

(2009) K.F. Khaled et al.   CORROSION SCIENCE

Electrochemical and surface analytical studies of the self-assembled monolayer of 5-methoxy-2-(octadecylthio)benzimidazole in corrosion protection of copper

(2009) B.V. Appa Rao et al.   ELECTROCHIMICA ACTA

The use of quantum chemical methods in corrosion inhibitor studies

(2008) Gökhan Gece   CORROSION SCIENCE

Electrochemical and quantum chemical study of purines as corrosion inhibitors for mild steel in 1M HCl solution

(2008) Ying Yan et al.   ELECTROCHIMICA ACTA

A comparative electrochemical and quantum chemical calculation study of BTAH and BTAOH as copper corrosion inhibitors in near neutral chloride solution

(2008) Matjaž Finšgar et al.   ELECTROCHIMICA ACTA