Towards a theoretical understanding of alkaloid-extract Cytisine derivatives of Retama monosperma (L.) Boiss. Seeds, as eco-friendly inhibitor for carbon steel corrosion in acidic 1M HCl solution

Solvent-free microwave assisted synthesis and corrosion inhibition study of a series of hydrazones derived from thiophene derivatives: Experimental, surface and theoretical study

(2019) A.K. Singh et al.   JOURNAL OF MOLECULAR LIQUIDS

A combined experimental and theoretical study of green corrosion inhibition of mild steel in HCl solution by aqueous Citrullus lanatus fruit (CLF) extract

(2019) Ali Dehghani et al.   JOURNAL OF MOLECULAR LIQUIDS

Evaluation of anti-corrosion performance of an expired semi synthetic antibiotic cefdinir for mild steel in 1 M HCl medium: An experimental and theoretical study

(2019) Ashish Kumar Singh et al.   Results in Physics

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

Green method of carbon steel effective corrosion mitigation in 1 M HCl medium protected by Primula vulgaris flower aqueous extract via experimental, atomic-level MC/MD simulation and electronic-level DFT theoretical elucidation

(2019) Mehdi Tabatabaei Majd et al.   JOURNAL OF MOLECULAR LIQUIDS

Corrosion mitigation of mild steel in acidic medium using Lagerstroemia speciosa leaf extract: A combined experimental and theoretical approach

(2019) Mohammad Mobin et al.   JOURNAL OF MOLECULAR LIQUIDS

Ab initio study on the six lowest energy conformers of iso-octane: conformational stability, barriers to internal rotation, natural bond orbital and first-order hyperpolarizability analyses, UV and NMR predictions, spectral temperature sensitivity, and scaled vibrational assignment

(2019) Mouhi Eddine Hachim et al.   JOURNAL OF MOLECULAR MODELING

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

Eriobotrya japonica Lindl leaves extract application for effective corrosion mitigation of mild steel in HCl solution: Experimental and computational studies

(2019) Saman Nikpour et al.   CONSTRUCTION AND BUILDING MATERIALS

Elucidating detailed experimental and fundamental understandings concerning the green organic-inorganic corrosion inhibiting molecules onto steel in chloride solution

(2019) Mohammad Ramezanzadeh et al.   JOURNAL OF MOLECULAR LIQUIDS

Effect of solution's pH and molecular structure of three linear α-amino acids on the corrosion of tin in salt solution: A combined experimental and theoretical approach

(2019) Brahim El Ibrahimi et al.   JOURNAL OF MOLECULAR STRUCTURE

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

Proton affinities and gas phase basicities of epoxides and episulfides: Exceptional superbasicity of compounds with oxygen and sulfur sites

(2018) Younes Valadbeigi   INTERNATIONAL JOURNAL OF MASS SPECTROMETRY

Effect of electron donating functional groups on corrosion inhibition of mild steel in hydrochloric acid: Experimental and quantum chemical study

(2018) Ambrish Singh et al.   Journal of the Taiwan Institute of Chemical Engineers

Corrosion inhibition of mild steel in 1 M HCl solution by ethanolic extract of eco-friendly Mangifera indica (mango) leaves: Electrochemical, molecular dynamics, Monte Carlo and ab initio study

(2018) Mohammad Ramezanzadeh et al.   APPLIED SURFACE SCIENCE

Ionic liquids as green and sustainable corrosion inhibitors for metals and alloys: An overview

(2017) Chandrabhan Verma et al.   JOURNAL OF MOLECULAR LIQUIDS

Structural, spectral and NBO analysis of 3-(1-(3-hydroxypropylamino)ethylidene)chroman-2,4-dione

(2017) Edina H. Avdović et al.   JOURNAL OF MOLECULAR STRUCTURE

Vibrational and structural observations upon 3-((1H-benzo[d]imidazol-1-yl)methyl)naphthalen-2-ol from spectral and DFT computing approaches

(2016) S. Jone Pradeepa et al.   JOURNAL OF MOLECULAR STRUCTURE

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

Alkaloids extract of Retama monosperma (L.) Boiss. seeds used as novel eco-friendly inhibitor for carbon steel corrosion in 1 M HCl solution: Electrochemical and surface studies

(2015) Naoual El Hamdani et al.   APPLIED SURFACE SCIENCE

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

Conformational search for zwitterionic leucine and hydrated conformers of both the canonical and zwitterionic leucine using the DFT-CPCM model

(2010) Amareshwar Kumar Rai et al.   VIBRATIONAL SPECTROSCOPY