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Evaluation of the pK's of Quinazoline derivatives : Usage of quantum mechanical based descriptors
Journal of Molecular Structure,
2024
DOI:10.1016/j.molstruc.2024.137552
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Valuation of rice straw residues: Production of silylated methylcellulose containing propylamine and propylethylenediamine for use as anticorrosion and antibacterial
International Journal of Biological Macromolecules,
2022
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Experimental and theoretical evaluation of aqueous black mustard seeds extract as sustainable-green inhibitor for mild steel corrosion in H2SO4 acid solutions
Journal of Adhesion Science and Technology,
2022
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Detailed experimental and computational explorations of pyran derivatives as corrosion inhibitors for mild steel in 1.0 M HCl: Electrochemical/surface studies, DFT modeling, and MC simulation
Journal of Molecular Structure,
2022
DOI:10.1016/j.molstruc.2022.132784
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Valuation of rice straw residues: Production of silylated methylcellulose containing propylamine and propylethylenediamine for use as anticorrosion and antibacterial
International Journal of Biological Macromolecules,
2022
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Residue interactions affecting the deprotonation of internal guanine moieties in oligodeoxyribonucleotides, calculated by FMO methods
Journal of Molecular Modeling,
2022
DOI:10.1007/s00894-022-05033-x
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Experimental and theoretical evaluation of aqueous black mustard seeds extract as sustainable-green inhibitor for mild steel corrosion in H2SO4 acid solutions
Journal of Adhesion Science and Technology,
2022
DOI:10.1080/01694243.2022.2062955
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[8]
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Detailed experimental and computational explorations of pyran derivatives as corrosion inhibitors for mild steel in 1.0 M HCl: Electrochemical/surface studies, DFT modeling, and MC simulation
Journal of Molecular Structure,
2022
DOI:10.1016/j.molstruc.2022.132784
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[9]
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Valuation of rice straw residues: Production of silylated methylcellulose containing propylamine and propylethylenediamine for use as anticorrosion and antibacterial
International Journal of Biological Macromolecules,
2022
DOI:10.1016/j.ijbiomac.2022.08.137
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[10]
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Valuation of rice straw residues: Production of silylated methylcellulose containing propylamine and propylethylenediamine for use as anticorrosion and antibacterial
International Journal of Biological Macromolecules,
2022
DOI:10.1016/j.ijbiomac.2022.08.137
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[11]
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Synthesis, characterization and evaluation of the corrosion inhibition on mild steel of two new Schiff bases derived from 4,4'-diaminobiphenyl: Density functional theory investigation
Journal of the Iranian Chemical Society,
2021
DOI:10.1007/s13738-021-02252-6
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[12]
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Synthesis, characterization and evaluation of the corrosion inhibition on mild steel of two new Schiff bases derived from 4,4'-diaminobiphenyl: Density functional theory investigation
Journal of the Iranian Chemical Society,
2021
DOI:10.1007/s13738-021-02252-6
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[13]
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Synthesis, density functional theory study, molecular dynamics simulation and anti-corrosion performance of two benzidine Schiff bases
Journal of Molecular Structure,
2021
DOI:10.1016/j.molstruc.2021.130224
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Computational Modeling: Theoretical Predictive Tools for Designing of Potential Organic Corrosion Inhibitors
Journal of Molecular Structure,
2021
DOI:10.1016/j.molstruc.2021.130294
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Computational Modeling: Theoretical Predictive Tools for Designing of Potential Organic Corrosion Inhibitors
Journal of Molecular Structure,
2021
DOI:10.1016/j.molstruc.2021.130294
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Experimental and quantum chemical studies of some derivative of decahydroacridinedione-1,8 as corrosion inhibitor of steel 17 gs in ns4 solution
Scientific journal of the Ternopil national technical university,
2021
DOI:10.33108/visnyk_tntu2021.01.129
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[17]
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Synthesis, characterization and evaluation of the corrosion inhibition on mild steel of two new Schiff bases derived from 4,4'-diaminobiphenyl: Density functional theory investigation
Journal of the Iranian Chemical Society,
2021
DOI:10.1007/s13738-021-02252-6
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[18]
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1-Isoquinolinyl phenyl ketone as a corrosion inhibitor: A theoretical study
Materials Today: Proceedings,
2021
DOI:10.1016/j.matpr.2020.12.310
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[19]
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Synthesis, density functional theory study, molecular dynamics simulation and anti-corrosion performance of two benzidine Schiff bases
Journal of Molecular Structure,
2021
DOI:10.1016/j.molstruc.2021.130224
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[20]
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Influence of the adsorption of toxic agents on the optical and electronic properties of B12N12 fullerene in the presence and absence of an external electric field
New Journal of Chemistry,
2020
DOI:10.1039/D0NJ01868F
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[21]
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Vibrational studies, quantum chemical calculations, and molecular modelling of ferrous fumarate
Canadian Journal of Physics,
2019
DOI:10.1139/cjp-2017-0216
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[22]
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Pyrazole Compounds : Synthesis, molecular structure, chemical reactivity, experimental and theoretical DFT FTIR spectra
Materials Today: Proceedings,
2019
DOI:10.1016/j.matpr.2019.04.060
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Evaluation of Shazab extract as eco-friendly green corrosion inhibitor for 420 stainless steel in hydrochloric acid
Materials Research Express,
2019
DOI:10.1088/2053-1591/ab2de9
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[24]
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Quantum Chemical and Electrochemical Evaluation of Alkyl Phosphine Oxide in Corrosion Inhibition of Carbon Steel in Formation Water
Zeitschrift für Physikalische Chemie,
2019
DOI:10.1515/zpch-2018-1296
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[25]
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Quantum Chemical and Electrochemical Evaluation of Alkyl Phosphine Oxide in Corrosion Inhibition of Carbon Steel in Formation Water
Zeitschrift für Physikalische Chemie,
2019
DOI:10.1515/zpch-2018-1296
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[26]
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Quantum Chemical and Electrochemical Evaluation of Alkyl Phosphine Oxide in Corrosion Inhibition of Carbon Steel in Formation Water
Zeitschrift für Physikalische Chemie,
2019
DOI:10.1515/zpch-2018-1296
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[27]
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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
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[28]
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Electrochemical and quantum chemical evaluation of new bis(coumarins) derivatives as corrosion inhibitors for carbon steel corrosion in 0.5 M H 2 SO 4
Journal of Molecular Liquids,
2018
DOI:10.1016/j.molliq.2018.01.148
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[29]
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Corrosion inhibition of carbon steel pipelines by some novel Schiff base compounds during acidizing treatment of oil wells studied by electrochemical and quantum chemical methods
Journal of Molecular Structure,
2017
DOI:10.1016/j.molstruc.2016.10.078
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[30]
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Revealing Germylene Compounds to Attain Superbasicity with Sigma Donor Substituents: A Density Functional Theory Study
Chemistry - A European Journal,
2017
DOI:10.1002/chem.201605209
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[31]
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Theoretical and experimental studies of dried marjoram leaves extract as green inhibitor for corrosion protection of steel substrate in acidic solution
Chemical Engineering Communications,
2017
DOI:10.1080/00986445.2017.1391096
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[32]
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Revealing Germylene Compounds to Attain Superbasicity with Sigma Donor Substituents: A Density Functional Theory Study
Chemistry – A European Journal,
2017
DOI:10.1002/chem.201605209
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[33]
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Enhanced Basicity of Push–Pull Nitrogen Bases in the Gas Phase
Chemical Reviews,
2016
DOI:10.1021/acs.chemrev.6b00224
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[34]
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Enhanced Basicity of Push–Pull Nitrogen Bases in the Gas Phase
Chemical Reviews,
2016
DOI:10.1021/acs.chemrev.6b00224
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[35]
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Experimental, quantum chemical and Monte Carlo simulation studies of 3,5-disubstituted-4-amino-1,2,4-triazoles as corrosion inhibitors on mild steel in acidic medium
Journal of Molecular Liquids,
2016
DOI:10.1016/j.molliq.2016.01.076
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[36]
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Evaluation ofl-tyrosine mixed with sodium dodecyl sulphate or cetyl pyridinium chloride as a corrosion inhibitor for mild steel in 1 M HCl: experimental and theoretical studies
RSC Adv.,
2016
DOI:10.1039/C6RA10010D
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[37]
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Synergistic effects and hydrogen bonded interaction of alkyl benzimadazoles and thiourea pair on mild steel in hydrochloric acid
Journal of the Taiwan Institute of Chemical Engineers,
2015
DOI:10.1016/j.jtice.2015.01.027
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[38]
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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
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[39]
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Electrochemical and theoretical studies on the synergistic interaction and corrosion inhibition of alkyl benzimidazoles and thiosemicarbazide pair on mild steel in hydrochloric acid
Materials Chemistry and Physics,
2015
DOI:10.1016/j.matchemphys.2014.11.020
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[40]
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Adsorption and electrochemical studies on the synergistic interaction of alkyl benzimadazoles and ethylene thiourea pair on mild steel in hydrochloric acid
Journal of the Taiwan Institute of Chemical Engineers,
2014
DOI:10.1016/j.jtice.2014.08.033
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[41]
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Predicting collision-induced dissociation spectra: Semi-empirical calculations as a rapid and effective tool in software-aided mass spectral interpretation
Rapid Communications in Mass Spectrometry,
2014
DOI:10.1002/rcm.6870
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[42]
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Interaction of Benzimidazoles and Benzotriazole: Its Corrosion Protection Properties on Mild Steel in Hydrochloric Acid
Journal of Materials Engineering and Performance,
2014
DOI:10.1007/s11665-014-1183-5
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[43]
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DFT Calculations for Corrosion Inhibition of Ferrous Alloys by Pyrazolopyrimidine Derivatives
Open Journal of Physical Chemistry,
2014
DOI:10.4236/ojpc.2014.41002
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