Corrosion inhibition of mild steel by aminobenzoic acid isomers in hydrochloric acid solution: Efficiency and adsorption mechanisms

Microscopic adsorption mechanism of montmorillonite for common ciprofloxacin emerging contaminant: Molecular dynamics simulation and Multiwfn wave function analysis

(2021) Hongling Zhang et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Inhibition efficiency and adsorption mechanism of 4-aminobenzoic acid for copper corrosion in nitric acid medium: a combined experimental and theoretical investigation

(2021) Aicha Bazzi et al.   STRUCTURAL CHEMISTRY

Electrochemical Investigation of Tetrazolium Violet as a Novel Copper Corrosion Inhibitor in an Acid Environment

(2020) Zhihua Tao et al.   ACS Omega

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

(2020) Dharmendr Kumar et al.   APPLIED SURFACE SCIENCE

Ionic liquids derived from α-amino acid ester salts as potent green corrosion inhibitors for mild steel in 1M HCl

(2020) Ruby Aslam et al.   JOURNAL OF MOLECULAR LIQUIDS

Understanding of anti-corrosive behavior of some tetrazole derivatives in acidic medium: adsorption on Cu (111) surface using quantum chemical calculations and Monte Carlo simulations

(2020) Hassan Bourzi et al.   SURFACE SCIENCE

The origin of the high reactivity of triazolinediones (TADs) in Diels-Alder reactions from a theoretical perspective

(2020) Natalia Rojas-Valencia et al.   TETRAHEDRON

Insights into the mechanism and regiochemistry of the 1,3-dipolar cycloaddition reaction between benzaldehyde and diazomethane

(2020) K. Abbiche et al.   THEORETICAL CHEMISTRY ACCOUNTS

Synthesis and characterization of novel Cu (II) and Zn (II) complexes of 5-{[(2-Hydroxyethyl) sulfanyl] methyl}-8-hydroxyquinoline as effective acid corrosion inhibitor by experimental and computational testings

(2020) M. Rbaa et al.   CHEMICAL PHYSICS LETTERS

A new trend in corrosion protection of copper in acidic medium by using Jujube shell extract as an effective green and environmentally safe corrosion inhibitor: Experimental, quantum chemistry approach and Monte Carlo simulation study

(2020) A. Jmiai 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

Evaluation of some amino benzoic acid and 4-aminoantipyrine derived Schiff bases as corrosion inhibitors for mild steel in acidic medium: Synthesis, experimental and computational studies

(2020) Nnamdi C. Okey et al.   JOURNAL OF MOLECULAR LIQUIDS

Unveiling the mechanism and selectivity of [3+2] cycloaddition reactions of benzonitrile oxide to ethyl trans-cinnamate, ethyl crotonate and trans-2-penten-1-ol through DFT analysis

(2020) Khalid Abbiche et al.   JOURNAL OF MOLECULAR MODELING

Exploration of adsorption mechanism of 2-phosphonobutane-1,2,4-tricarboxylic acid onto kaolinite and montmorillonite via batch experiment and theoretical studies

(2020) Sidi Zhu et al.   JOURNAL OF HAZARDOUS MATERIALS

Benzo[c][1,2,5]selenadiazole organoselenium derivatives: Synthesis, X-ray, DFT, Fukui analysis and electrochemical behavior

(2019) Halima Ouahine et al.   JOURNAL OF MOLECULAR STRUCTURE

Molecular structure of 1,4-bis(substituted-carbonyl)benzene: A combined experimental and theoretical approach

(2019) Ezzat Khan et al.   JOURNAL OF MOLECULAR STRUCTURE

1,2-bis(4-chlorobenzylidene)Azine as new and effective corrosion inhibitor for copper in 0.1 N HCl: A combined experimental and theoretical approach

(2018) K. Abderrahim et al.   CHEMICAL PHYSICS LETTERS

The Independent Gradient Model: A New Approach for Probing Strong and Weak Interactions in Molecules from Wave Function Calculations

(2018) Corentin Lefebvre et al.   CHEMPHYSCHEM

Alginate biopolymer as green corrosion inhibitor for copper in 1 M hydrochloric acid: Experimental and theoretical approaches

(2018) A. Jmiai et al.   JOURNAL OF MOLECULAR STRUCTURE

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

Comparative studies of two benzaldehyde thiosemicarbazone derivatives as corrosion inhibitors for mild steel in 1.0 M HCl

(2018) H.H. Zhang et al.   Results in Physics

Single-crystal and molecular structures of six hydrogen-bonding 3D supramolecular salts from 2-aminobenzoic acid, 3-aminobenzoic acid, 4-aminobenzoic acid, and acidic components

(2018) Yuan Lu 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

Effects of ESI conditions on kinetic trapping of the solution-phase protonation isomer of p -aminobenzoic acid in the gas phase

(2017) Amanda L. Patrick et al.   INTERNATIONAL JOURNAL OF MASS SPECTROMETRY

Amine vs. carboxylic acid protonation in ortho-, meta-, and para-aminobenzoic acid: An IRMPD spectroscopy study

(2017) Adam P. Cismesia et al.   JOURNAL OF MOLECULAR SPECTROSCOPY

Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron density

(2017) Corentin Lefebvre et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Synthesis and properties of microenvironment-sensitive oligonucleotides containing a small fluorophore, 3-aminobenzonitrile or 3-aminobenzoic acid

(2017) Hiroaki Ozaki et al.   TETRAHEDRON

Corrosion inhibition of mild steel in 1M HCl by D-glucose derivatives of dihydropyrido [2,3-d:6,5-d′] dipyrimidine-2, 4, 6, 8(1H,3H, 5H,7H)-tetraone

(2017) Chandrabhan Verma et al.   Scientific Reports

Application of carbohydrate polymers as corrosion inhibitors for metal substrates in different media: A review

(2016) Saviour A. Umoren et al.   CARBOHYDRATE POLYMERS

Computational study of some triazole derivatives (un- and protonated forms) and their copper complexes in corrosion inhibition process

(2016) Brahim El Ibrahimi et al.   JOURNAL OF MOLECULAR STRUCTURE

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

The impact of environment and resonance effects on the site of protonation of aminobenzoic acid derivatives

(2016) Jongcheol Seo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

New 1 H -pyrrole-2,5-dione derivatives as efficient organic inhibitors of carbon steel corrosion in hydrochloric acid medium: Electrochemical, XPS and DFT studies

(2015) A. Zarrouk et al.   CORROSION SCIENCE

Experimental, quantum chemical and Monte Carlo simulation studies on the corrosion inhibition of some alkyl imidazolium ionic liquids containing tetrafluoroborate anion on mild steel in acidic medium

(2015) Y. Sasikumar et al.   JOURNAL OF MOLECULAR LIQUIDS

Structural, vibrational spectroscopic studies and quantum chemical calculations of n-(2,4-dinitrophenyl)-l-alanine methyl ester by density functional theory

(2015) K. Govindarasu et al.   JOURNAL OF MOLECULAR STRUCTURE

Some Quinoxalin-6-yl Derivatives as Corrosion Inhibitors for Mild Steel in Hydrochloric Acid: Experimental and Theoretical Studies

(2015) Lukman O. Olasunkanmi et al.   Journal of Physical Chemistry C

Density functional theory and molecular dynamics simulation study on corrosion inhibition performance of mild steel by mercapto-quinoline Schiff base corrosion inhibitor

(2015) Sourav Kr. Saha et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Minimizing Density Functional Failures for Non-Covalent Interactions Beyond van der Waals Complexes

(2014) Clemence Corminboeuf   ACCOUNTS OF CHEMICAL RESEARCH

Adsorption and inhibition effect of curcumin on mild steel corrosion in hydrochloric acid

(2014) H. Elmsellem et al.   RUSSIAN JOURNAL OF APPLIED CHEMISTRY

Experimental and theoretical studies for mild steel corrosion inhibition in 1M HCl by two new benzothiazine derivatives

(2013) T. Ghailane et al.   CORROSION SCIENCE

Electrochemical Study of Cyproconazole as a Novel Corrosion Inhibitor for Copper in Acidic Solution

(2013) Zhihua Tao et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Global and local reactivity indices for electrophilic/nucleophilic free radicals

(2013) Luis R. Domingo et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Inhibition of corrosion of copper in nitric acid solution by four amino acids

(2013) K. Barouni et al.   RESEARCH ON CHEMICAL INTERMEDIATES

Probing Electrospray Ionization Dynamics Using Differential Mobility Spectrometry: The Curious Case of 4-Aminobenzoic Acid

(2012) J. Larry Campbell et al.   ANALYTICAL CHEMISTRY

Experimental and Theoretical Study on the Inhibition Performances of Quinoxaline and Its Derivatives for the Corrosion of Mild Steel in Hydrochloric Acid

(2012) JiaJun Fu et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Infrared Multiphoton Dissociation Spectroscopy Study of Protonatedp-Aminobenzoic Acid: Does Electrospray Ionization Afford the Amino- or Carboxy-Protonated Ion?

(2011) Jacob Schmidt et al.   JOURNAL OF PHYSICAL CHEMISTRY A

DFT Study of Interaction of Azoles with Cu(111) and Al(111) Surfaces: Role of Azole Nitrogen Atoms and Dipole–Dipole Interactions

(2011) Nataša Kovačević et al.   Journal of Physical Chemistry C

Adsorption properties and inhibition of mild steel corrosion in hydrochloric solution by some newly synthesized diamine derivatives: Experimental and theoretical investigations

(2010) L. Herrag et al.   CORROSION SCIENCE

Experimental and atomistic simulation studies of corrosion inhibition of copper by a new benzotriazole derivative in acid medium

(2009) K.F. Khaled   ELECTROCHIMICA ACTA

Covalent radii revisited

(2008) Beatriz Cordero et al.   DALTON TRANSACTIONS

Understanding the Reactivity of Captodative Ethylenes in Polar Cycloaddition Reactions. A Theoretical Study†

(2008) Luis R. Domingo et al.   JOURNAL OF ORGANIC CHEMISTRY

Some amino acids as corrosion inhibitors for copper in nitric acid solution

(2008) K. Barouni et al.   MATERIALS LETTERS