Evaluation of Gloriosa superba seeds extract as corrosion inhibition for low carbon steel in sulfuric acidic medium: A combined experimental and computational studies

Highly functionalized epoxy macromolecule as an anti-corrosive material for carbon steel: Computational (DFT, MDS), surface (SEM-EDS) and electrochemical (OCP, PDP, EIS) studies

(2020) O. Dagdag et al.   JOURNAL OF MOLECULAR LIQUIDS

Synthesis of Macromolecular Aromatic Epoxy Resins as Anticorrosive Materials: Computational Modeling Reinforced Experimental Studies

(2020) Omar Dagdag et al.   ACS Omega

Combined electronic/atomic level computational, surface (SEM/EDS), chemical and electrochemical studies of the mild steel surface by quinoxalines derivatives anti-corrosion properties in 1 mol⋅L-1 HCl solution

(2020) F. Benhiba et al.   CHINESE JOURNAL OF CHEMICAL ENGINEERING

Nitro substituent effect on the electronic behavior and inhibitory performance of two quinoxaline derivatives in relation to the corrosion of mild steel in 1 M HCl

(2020) F. Benhiba et al.   JOURNAL OF MOLECULAR LIQUIDS

Development and potential performance of prepolymer in corrosion inhibition for carbon steel in 1.0 M HCl: Outlooks from experimental and computational investigations

(2020) Rachid Hsissou et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Evaluation of Lavandula mairei extract as green inhibitor for mild steel corrosion in 1 M HCl solution. Experimental and theoretical approach

(2020) A. Berrissoul et al.   JOURNAL OF MOLECULAR LIQUIDS

Ficus racemosa leaf extract for inhibiting steel corrosion in a hydrochloric acid medium

(2020) H.T. Anh et al.   Alexandria Engineering Journal

A new green inhibitor for lowering the corrosion rate of carbon steel in 1 M HCl solution: Hyalomma tick extract

(2020) Mohammad Amin Bidi et al.   Materials Today Communications

Papaya leaves extract as a novel eco-friendly corrosion inhibitor for Cu in H2SO4 medium

(2020) Bochuan Tan et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Interactions between the Aryldiazonium Cations and Graphene Oxide: A DFT Study

(2019) Avni Berisha   Journal of Chemistry

Synthesis, experimental, quantum chemical and molecular dynamics study of carbon steel corrosion inhibition effect of two Schiff bases in HCl solution

(2019) Shirin Shahabi et al.   JOURNAL OF MOLECULAR LIQUIDS

A detailed atomic level computational and electrochemical exploration of the Juglans regia green fruit shell extract as a sustainable and highly efficient green corrosion inhibitor for mild steel in 3.5 wt% NaCl solution

(2019) Seyyed Arash Haddadi et al.   JOURNAL OF MOLECULAR LIQUIDS

Detailed macro-/micro-scale exploration of the excellent active corrosion inhibition of a novel environmentally friendly green inhibitor for carbon steel in acidic environments

(2019) Ali Dehghani et al.   Journal of the Taiwan Institute of Chemical Engineers

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

Green Eucalyptus leaf extract: A potent source of bio-active corrosion inhibitors for mild steel

(2019) Ali Dehghani et al.   BIOELECTROCHEMISTRY

Sargassum muticum extract based on alginate biopolymer as a new efficient biological corrosion inhibitor for carbon steel in hydrochloric acid pickling environment: Gravimetric, electrochemical and surface studies

(2019) I. Nadi et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

Green production of bioactive components from herbal origins through one-pot oxidation/polymerization reactions and application as a corrosion inhibitor for mild steel in HCl solution

(2019) Motahhare Keramatinia et al.   Journal of the Taiwan Institute of Chemical Engineers

Epoxy prepolymer as a novel anti-corrosive material for carbon steel in acidic solution: Electrochemical, surface and computational studies

(2019) O. Dagdag et al.   Materials Today Communications

Experimental complemented with microscopic (electronic/atomic)-level modeling explorations of Laurus nobilis extract as green inhibitor for carbon steel in acidic solution

(2019) Ali Dehghani et al.   JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY

Glycyrrhiza glabra leaves extract as a green corrosion inhibitor for mild steel in 1 M hydrochloric acid solution: Experimental, molecular dynamics, Monte Carlo and quantum mechanics study

(2018) Eiman Alibakhshi et al.   JOURNAL OF MOLECULAR LIQUIDS

An overview on plant extracts as environmental sustainable and green corrosion inhibitors for metals and alloys in aggressive corrosive media

(2018) Chandrabhan Verma et al.   JOURNAL OF MOLECULAR LIQUIDS

Corrosion resistance of mild steel in 0.5 M H2SO4 solution by plant extract of Alkana tinctoria: Experimental and theoretical studies

(2018) Rajesh Haldhar et al.   European Physical Journal Plus

Persian Liquorice extract as a highly efficient sustainable corrosion inhibitor for mild steel in sodium chloride solution

(2018) E. Alibakhshi et al.   JOURNAL OF CLEANER PRODUCTION

Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals

(2017) Narbe Mardirossian et al.   MOLECULAR PHYSICS

Musa paradisica peel extract as green corrosion inhibitor for mild steel in HCl solution

(2015) Gopal Ji et al.   CORROSION SCIENCE

Electrochemical and quantum chemical study of Thiazolo-pyrimidine derivatives as corrosion inhibitors on mild steel in 1M H2SO4

(2015) S. Hejazi et al.   JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY

Molecular dynamics simulation of inhibition mechanism of 3,5-dibromo salicylaldehyde Schiff’s base

(2015) Si-Wei Xie et al.   Computational and Theoretical Chemistry

A comprehensive study on crude methanolic extract of Artemisia pallens (Asteraceae) and its active component as effective corrosion inhibitors of mild steel in acid solution

(2012) Subhadra Garai et al.   CORROSION SCIENCE

Inhibition by Jasminum nudiflorum Lindl. leaves extract of the corrosion of aluminium in HCl solution

(2012) Shuduan Deng et al.   CORROSION SCIENCE

Inhibition effect of Dendrocalamus brandisii leaves extract on aluminum in HCl, H3PO4 solutions

(2012) Xianghong Li et al.   CORROSION SCIENCE

Green approach to corrosion inhibition of 304 stainless steel in hydrochloric acid solution by the extract of Salvia officinalis leaves

(2012) Nasrin Soltani et al.   CORROSION SCIENCE

Performance of the M11 and M11-L density functionals for calculations of electronic excitation energies by adiabatic time-dependent density functional theory

(2012) Roberto Peverati et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Inhibitory action of aqueous coffee ground extracts on the corrosion of carbon steel in HCl solution

(2011) Vanessa Vasconcelos Torres et al.   CORROSION SCIENCE

The corrosion inhibition and adsorption behavior of Uncaria gambir extract on mild steel in 1M HCl

(2010) M. Hazwan Hussin et al.   MATERIALS CHEMISTRY AND PHYSICS

Corrosion inhibition of mild steel in 1M HCl solution by henna extract: A comparative study of the inhibition by henna and its constituents (Lawsone, Gallic acid, α-d-Glucose and Tannic acid)

(2009) A. Ostovari et al.   CORROSION SCIENCE

Inhibitory action of Phyllanthus amarus extracts on the corrosion of mild steel in acidic media

(2008) P.C. Okafor et al.   CORROSION SCIENCE

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS