[1]
|
DFT, Fukui indices, and molecular dynamic simulation studies on corrosion inhibition characteristics: a review
Chemical Papers,
2024
DOI:10.1007/s11696-023-03148-w
|
|
|
[2]
|
Introduction to Corrosion - Basics and Advances [Working Title]
2023
DOI:10.5772/intechopen.109523
|
|
|
[3]
|
DFT Calculation and MD Simulation Studies on Gemini Surfactant Corrosion Inhibitor in Acetic Acid Media
Polymers,
2023
DOI:10.3390/polym15092155
|
|
|
[4]
|
Green corrosion inhibition and DFT studies of phytoextract and green synthesis of copper nanoparticles of Jacaranda mimosaefolia
Materials Today: Proceedings,
2023
DOI:10.1016/j.matpr.2023.05.695
|
|
|
[5]
|
Density Functional Theory Studies on New Possible Biobased Gemini Corrosion Inhibitors Derived from Fatty Hydrazide Derivatives
ACS Omega,
2023
DOI:10.1021/acsomega.3c02435
|
|
|
[6]
|
Introduction to Corrosion - Basics and Advances
2023
DOI:10.5772/intechopen.109523
|
|
|
[7]
|
Green corrosion inhibition and DFT studies of phytoextract and green synthesis of copper nanoparticles of Jacaranda mimosaefolia
Materials Today: Proceedings,
2023
DOI:10.1016/j.matpr.2023.05.695
|
|
|
[8]
|
Pectin-amino acid derivatives as highly efficient green inhibitors for the corrosion of N80 steel in CO2-saturated formation water
Industrial Crops and Products,
2022
DOI:10.1016/j.indcrop.2022.115866
|
|
|
[9]
|
Efficiency of a pyrimidine derivative for the corrosion inhibition of C1018 carbon steel in aqueous acidic medium: Experimental and theoretical approach
Colloids and Surfaces A: Physicochemical and Engineering Aspects,
2022
DOI:10.1016/j.colsurfa.2022.128631
|
|
|
[10]
|
Electrochemical and computational investigation of adsorption and corrosion inhibition behaviour of 2-aminobenzohydrazide derivatives at mild steel surface in 15% HCl
Materials Chemistry and Physics,
2022
DOI:10.1016/j.matchemphys.2022.126666
|
|
|
[11]
|
Efficiency of a pyrimidine derivative for the corrosion inhibition of C1018 carbon steel in aqueous acidic medium: Experimental and theoretical approach
Colloids and Surfaces A: Physicochemical and Engineering Aspects,
2022
DOI:10.1016/j.colsurfa.2022.128631
|
|
|
[12]
|
Computational and Experimental Evaluation of Inhibition Potential of a New Ecologically Friendly Inhibitor Leaves of Date Palm (Phoenix dactylifera L.) for Aluminium Corrosion in an Acidic Media
International Journal of Corrosion,
2022
DOI:10.1155/2022/5953561
|
|
|
[13]
|
Electrochemical and computational investigation of adsorption and corrosion inhibition behaviour of 2-aminobenzohydrazide derivatives at mild steel surface in 15% HCl
Materials Chemistry and Physics,
2022
DOI:10.1016/j.matchemphys.2022.126666
|
|
|
[14]
|
Experimental and Theoretical Studies on an Anionic Gemini Surfactant as Corrosion Inhibitor for AZ31 Magnesium Alloy
Journal of Bio- and Tribo-Corrosion,
2022
DOI:10.1007/s40735-022-00687-9
|
|
|
[15]
|
Corrosion Inhibition of Mild Steel in 1 M HCl by Methanolic Chromolaena odorata Leaf Extract: Experimental and Theoretical Studies
Journal of Bio- and Tribo-Corrosion,
2022
DOI:10.1007/s40735-022-00704-x
|
|
|
[16]
|
Pectin-amino acid derivatives as highly efficient green inhibitors for the corrosion of N80 steel in CO2-saturated formation water
Industrial Crops and Products,
2022
DOI:10.1016/j.indcrop.2022.115866
|
|
|
[17]
|
Verification of corrosion inhibition of Mild steel by some 4-Aminoantipyrine-based Schiff bases – Impact of adsorbate substituent and cross-conjugation
Journal of Molecular Liquids,
2021
DOI:10.1016/j.molliq.2021.115960
|
|
|
[18]
|
Insight into the corrosion inhibition of novel macromolecular epoxy resin as highly efficient inhibitor for carbon steel in acidic mediums: Synthesis, characterization, electrochemical techniques, AFM/UV–Visible and computational investigations
Journal of Molecular Liquids,
2021
DOI:10.1016/j.molliq.2021.116492
|
|
|
[19]
|
Corrosion inhibitor in CO2-O2-containing environment: Inhibition effect and mechanisms of Bis(2-ehylhexyl) phosphate for the corrosion of carbon steel
Corrosion Science,
2021
DOI:10.1016/j.corsci.2020.109173
|
|
|
[20]
|
Insight into the corrosion inhibition of novel macromolecular epoxy resin as highly efficient inhibitor for carbon steel in acidic mediums: Synthesis, characterization, electrochemical techniques, AFM/UV–Visible and computational investigations
Journal of Molecular Liquids,
2021
DOI:10.1016/j.molliq.2021.116492
|
|
|
[21]
|
Verification of corrosion inhibition of Mild steel by some 4-Aminoantipyrine-based Schiff bases – Impact of adsorbate substituent and cross-conjugation
Journal of Molecular Liquids,
2021
DOI:10.1016/j.molliq.2021.115960
|
|
|
[22]
|
Molecular docking, quantum chemical computational and vibrational studies on bicyclic heterocycle “6-nitro-2,3-dihydro-1,4-benzodioxine”: Anti-cancer agent
Computational Biology and Chemistry,
2020
DOI:10.1016/j.compbiolchem.2020.107226
|
|
|
[23]
|
Novel Green Corrosion Inhibitor for Mild Steel in Sulfuric Acid
Protection of Metals and Physical Chemistry of Surfaces,
2020
DOI:10.1134/S2070205120020318
|
|
|
[24]
|
Effect of sesquiterpenes on the general corrosion behaviour of stainless steel in sulfuric acid: electrochemical and quantum chemical calculations
Chemical Papers,
2020
DOI:10.1007/s11696-020-01264-5
|
|
|
[25]
|
Quantum chemical studies on the inhibitive effect of silane derivatives
Progress in Organic Coatings,
2019
DOI:10.1016/j.porgcoat.2018.10.029
|
|
|
[26]
|
Corrosion Resistance of Aluminum against Acid Activation: Impact of Benzothiazole-Substituted Gallium Phthalocyanine
Molecules,
2019
DOI:10.3390/molecules24010207
|
|
|
[27]
|
Adsorption and anticorrosive behavior of aromatic epoxy monomers on carbon steel corrosion in acidic solution: computational studies and sustained experimental studies
RSC Advances,
2019
DOI:10.1039/C9RA01672D
|
|
|
[28]
|
Quantum Chemical Approach for the Study of the Phytoconstituents of Araucaria heterophylla Gum (AHG) as Corrosion Inhibitor Using Density Functional Theory (DFT)
Journal of Bio- and Tribo-Corrosion,
2019
DOI:10.1007/s40735-019-0257-1
|
|
|
[29]
|
Functionalised novel gemini surfactants as corrosion inhibitors for mild steel in 50 mM NaCl: Experimental and theoretical insights
Colloids and Surfaces A: Physicochemical and Engineering Aspects,
2019
DOI:10.1016/j.colsurfa.2019.123699
|
|
|
[30]
|
Quantum chemical determination of molecular geometries and spectral investigation of 4-ethoxy-2, 3-difluoro benzamide
Heliyon,
2019
DOI:10.1016/j.heliyon.2019.e02365
|
|
|
[31]
|
A comparison of typical additives for copper electroplating based on theoretical computation
Computational Materials Science,
2018
DOI:10.1016/j.commatsci.2017.11.049
|
|
|
[32]
|
A study on the effect of new prepared amide cationic amphipathic on the corrosion inhibition of API N80 steel pipelines in oil wells industries
Anti-Corrosion Methods and Materials,
2018
DOI:10.1108/ACMM-08-2017-1824
|
|
|
[33]
|
Experimental and Quantum Chemical Investigation of Imidazole Derivatives as Corrosion Inhibitors on Mild Steel in 1.0 M Hydrochloric Acid
Journal of Bio- and Tribo-Corrosion,
2018
DOI:10.1007/s40735-018-0151-2
|
|
|
[34]
|
Theoretical study on the corrosion inhibitor potential of moxifloxacin for API 5L X-52 steel in acidic environment
IOP Conference Series: Earth and Environmental Science,
2018
DOI:10.1088/1755-1315/173/1/012018
|
|
|
[35]
|
Quantum Chemical Assessment of Two Natural Compounds: Vasicine and Vasicinone as Green Corrosion Inhibitors.
International Journal of Electrochemical Science,
2018
DOI:10.20964/2018.04.57
|
|
|
[36]
|
Quantum chemical investigation of the relationship between molecular structure and corrosion inhibition efficiency of benzotriazole and its alkyl-derivatives on iron
Protection of Metals and Physical Chemistry of Surfaces,
2017
DOI:10.1134/S2070205118010215
|
|
|
[37]
|
Theoretical modeling and molecular level insights into the corrosion inhibition activity of 2-amino-1,3,4-thiadiazole and its 5-alkyl derivatives
Journal of Molecular Liquids,
2016
DOI:10.1016/j.molliq.2016.06.011
|
|
|
[38]
|
DFT/ and TD-DFT/PCM calculations of molecular structure, spectroscopic characterization, NLO and NBO analyses of 4-(4-chlorophenyl) and 4-[4-(dimethylamino) phenyl]-2-oxo-1,2,5,6-tetrahydrobenzo[ h ]quinoline-3-carbonitrile dyes
Journal of Molecular Liquids,
2016
DOI:10.1016/j.molliq.2016.07.146
|
|
|
[39]
|
DFT calculations of thiosemicarbazide, arylisothiocynates, and 1-aryl-2,5-dithiohydrazodicarbonamides as corrosion inhibitors of copper in an aqueous chloride solution
Journal of Industrial and Engineering Chemistry,
2015
DOI:10.1016/j.jiec.2014.11.043
|
|
|
[40]
|
Experimental and theoretical studies of (E)-N′-1-(4-propylbenzylidene)nicotinohydrazide as corrosion inhibitor of mild steel in 1 M HCl
Protection of Metals and Physical Chemistry of Surfaces,
2015
DOI:10.1134/S2070205115030041
|
|
|
[41]
|
Anticorrosion potential of a pharmaceutical intermediate Floctafenine for zinc in 0.1 M HCl solution
International Journal of Industrial Chemistry,
2015
DOI:10.1007/s40090-015-0049-5
|
|
|