Molecular structure aspects and molecular reactivity of some triazole derivatives for corrosion inhibition of aluminum in 1 M HCl solution

Locust Bean Gum as a green and novel corrosion inhibitor for Q235 steel in 0.5 M H2SO4 medium

(2020) Lei Guo et al.   JOURNAL OF MOLECULAR LIQUIDS

Benzidine-based Schiff base compounds for employing as corrosion inhibitors for carbon steel in 1.0 M HCl aqueous media by chemical, electrochemical and computational methods

(2020) M.A. Bedair et al.   JOURNAL OF MOLECULAR LIQUIDS

Molecular structure optimization design of inhibitors based on frontier orbitals theory

(2019) Xiong Zhao et al.   APPLIED SURFACE SCIENCE

Impact of electron-withdrawing and electron-donating substituents on the corrosion inhibitive properties of benzimidazole derivatives: A quantum chemical study

(2019) Ismail Abdulazeez et al.   JOURNAL OF MOLECULAR STRUCTURE

DFT computations and molecular dynamics investigations on conformers of some pyrazinamide derivatives as corrosion inhibitors for aluminum

(2019) Nesrine Ammouchi et al.   JOURNAL OF MOLECULAR LIQUIDS

Adsorption and Computational Studies for Evaluating the Behavior of Silicon Based Compounds as Novel Corrosion Inhibitors of Carbon Steel Surfaces in Acidic Media

(2018) Mohamed A. Abbas et al.   ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS

Inhibitive effect of bithiophene carbonitrile derivatives on carbon steel corrosion in 1 M HCl solution: experimental and theoretical approaches

(2018) M. A. Bedair et al.   IONICS

Synergistic Effect between Natural Honey and 0.1 M KI as Green Corrosion Inhibitor for Steel in Acid Medium

(2018) M.M.B. El-Sabbah et al.   ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS

What is NBO analysis and how is it useful?

(2016) F. Weinhold et al.   INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY

Corrosion inhibition of aluminum in hydrochloric acid by pyrazinamide derivatives

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

DFT Modeling of Corrosion Inhibition by Organic Molecules: Carboxylates as Inhibitors of Aluminum Corrosion

(2016) D. Costa et al.   Journal of Physical Chemistry C

Determination of corrosion inhibition effects of amino acids: Quantum chemical and molecular dynamic simulation study

(2016) Savaş Kaya et al.   Journal of the Taiwan Institute of Chemical Engineers

Theoretical evaluation of some benzotriazole and phospono derivatives as aluminum corrosion inhibitors: DFT and molecular dynamics simulation approaches

(2016) Savaş Kaya et al.   RSC Advances

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

Pyridine derivatives as corrosion inhibitors for N80 steel in 15% HCl: Electrochemical, surface and quantum chemical studies

(2015) K.R. Ansari et al.   MEASUREMENT

A new method for calculation of molecular hardness: A theoretical study

(2015) Savaş Kaya et al.   Computational and Theoretical Chemistry

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

Dynamic, in situ study of self-assembling organic phosphonic acid monolayers from ethanolic solutions on aluminium oxides by means of odd random phase multisine electrochemical impedance spectroscopy

(2013) Tom Hauffman et al.   ELECTROCHIMICA ACTA

Xanthione: A new and effective corrosion inhibitor for mild steel in sulphuric acid solution

(2010) N.O. Obi-Egbedi et al.   Arabian Journal of Chemistry

On the inhibition of mild steel corrosion by 4-amino-5-phenyl-4H-1, 2, 4-trizole-3-thiol

(2009) Ahmed Y. Musa et al.   CORROSION SCIENCE

Corrosion inhibition of aluminum in hydrochloric acid solution by alkylimidazolium ionic liquids

(2009) QiBo Zhang et al.   MATERIALS CHEMISTRY AND PHYSICS

Difference in the inhibitive effect of some Schiff base compounds containing oxygen, nitrogen and sulfur donors

(2008) H. Derya Leçe et al.   CORROSION SCIENCE

Effect of carbon steel microstructures and molecular structure of two new Schiff base compounds on inhibition performance in 1M HCl solution by EIS

(2008) M. Ehteshamzadeh et al.   MATERIALS CHEMISTRY AND PHYSICS

Conceptual DFT: the chemical relevance of higher response functions

(2008) P. Geerlings et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS