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Numerical investigation of turbulent mixed convection in a round bottom flask using a hybrid nanofluid
Advances in mechanical engineering, 2023-09, Vol.15 (9)
2023
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Molecular dynamic simulation and DFT computational studies on the adsorption performances of methylene blue in aqueous solutions by orange peel-modified phosphoric acid
Journal of molecular structure, 2020-02, Vol.1202, p.127290, Article 127290
2020
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Novel α-aminophosphonate derivates synthesis, theoretical calculation, Molecular docking, and in silico prediction of potential inhibition of SARS-CoV-2
Journal of molecular structure, 2023-01, Vol.1272, p.134196-134196, Article 134196
2023
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NUMERICAL SIMULATION OF HEAT TRANSFER IN A SQUARE CAVITY FILLED WITH HYBRID NANOFLUID
Nanoscience and technology (Danbury, Conn.), 2024, Vol.15 (2), p.79-94
2024
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Synthesis, spectral analysis, theoretical studies, molecular dynamic simulation and comparison of anticorrosive activity of an ester and an acid α-Hydroxyphosphonates
Journal of molecular structure, 2019-11, Vol.1195, p.839-849
2019
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Synthesis, spectral analysis, anti-corrosive activity and theoretical study of an aromatic hydrazone derivative
Journal of molecular structure, 2019-04, Vol.1181, p.83-92
2019
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New thiophene-derived α-aminophosphonic acids: Synthesis under microwave irradiations, antioxidant and antifungal activities, DFT investigations and SARS-CoV-2 main protease inhibition
Journal of molecular structure, 2022-02, Vol.1250, p.131853-131853, Article 131853
2022
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Synthesis, spectral properties and corrosion inhibition efficiency of new ethyl hydrogen [(methoxyphenyl) (methylamino) methyl] phosphonate derivatives: Experimental and theoretical investigation
Journal of molecular structure, 2019-01, Vol.1175, p.398-413
2019
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EVALUATION OF THE THERMAL CONDUCTIVITY OF NANOFLUIDS USING STATISTICAL ANALYSIS METHODS
Nanoscience and technology (Danbury, Conn.), 2022, Vol.13 (4), p.45-61
2022
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New α-Hydrazinophosphonic acid: Synthesis, characterization, DFT study and in silico prediction of its potential inhibition of SARS-CoV-2 main protease
Journal of molecular structure, 2021-09, Vol.1239, p.130480-130480, Article 130480
2021
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Synthesis and study of the inhibitory properties of a new Schiff base for C45 carbon steel in 1 M HCl
Journal of molecular structure, 2024-09, Vol.1312, p.138487, Article 138487
2024
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Solvent and catalyst-free synthesis, corrosion protection, thermodynamic, MDS and DFT calculation of two environmentally friendly inhibitors: Bis-phosphonic acids
Journal of molecular structure, 2020-12, Vol.1222, p.128813, Article 128813
2020
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Synthesis, structural and anticorrosion properties of diethyl (phenylamino) methyl) phosphonate derivatives: Experimental and theoretical study
Journal of molecular structure, 2020-04, Vol.1206, p.127693, Article 127693
2020
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New phosphinic and phosphonic acids: Synthesis, antidiabetic, anti-Alzheimer, antioxidant activity, DFT study and SARS-CoV-2 inhibition
Journal of molecular structure, 2022-11, Vol.1268, p.133701, Article 133701
2022
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Synthesis, antibacterial screening and DFT studies of series of α-amino-phosphonates derivatives from aminophenols
Journal of molecular structure, 2017-04, Vol.1134, p.217-225
2017
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Synthesis, spectroscopic characterization and a comparative study of the corrosion inhibitive efficiency of an α-aminophosphonate and Schiff base derivatives: Experimental and theoretical investigations
Journal of molecular structure, 2018-04, Vol.1157, p.165-176
2018
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Synthesis, characterization, DFT study and antioxidant activity of (2-hydroxynaphthalen-1-yl) methyl 2-hydroxyphenyl amino phosphonic acid
Journal of molecular structure, 2022-01, Vol.1247, p.131322, Article 131322
2022
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Synthesis, electrochemical and classical evaluation of the antioxidant activity of three α-aminophosphonic acids: Experimental and theoretical investigation
Journal of molecular structure, 2018-11, Vol.1171, p.179-189
2018
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New bis hydrazone: Synthesis, X-ray crystal structure, DFT computations, conformational study and in silico study of the inhibition activity of SARS-CoV-2
Journal of molecular structure, 2022-08, Vol.1261, p.132865-132865, Article 132865
2022
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New bi-phosphonate derivative: Synthesis, characterization, antioxidant activity in vitro and via cyclic voltammetry mode and evaluation of its inhibition of SARS-CoV-2 main protease
Journal of molecular structure, 2023-07, Vol.1284, p.135356-135356, Article 135356
2023
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Synthesis, characterization, DFT, antioxidant, antibacterial, pharmacokinetics and inhibition of SARS-CoV-2 main protease of some heterocyclic hydrazones
Journal of molecular structure, 2022-12, Vol.1270, p.134005-134005, Article 134005
2022
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Synthesis, characterization, and comprehensive computational analysis of aromatic hydrazone compounds: Unveiling quantum parameters, evaluating antioxidant activity, and investigating molecular docking interactions
Journal of molecular liquids, 2024-06, Vol.403, p.124897, Article 124897
2024
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Experimental and detailed DFT/MD simulation of α-aminophosphonates as promising corrosion inhibitor for XC48 carbon steel in HCl environment
Journal of the Taiwan Institute of Chemical Engineers, 2023-06, Vol.147, p.104918, Article 104918
2023
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Phosphonylated p-aminophenol derivatives: Microwave Assisted Synthesis, Density Functional Theory study and biological activities evaluation
Journal of molecular structure, 2023-10, Vol.1290, p.135916, Article 135916
2023
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Hydroxyphenylamine phosphonate derivatives: Synthesis, X-ray crystallographic analysis, and evaluation of theirs anti-Alzheimer effects and antioxidant activities
Journal of molecular structure, 2021-02, Vol.1225, p.129121, Article 129121
2021
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