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[1]
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Differently structural Cu(II) and Ni(II) complexes of a nonsymmetrical tetradentate half-salamo like N3O-donor ligand: Synthesis, crystal structure, spectral properties and theoretical studies
Journal of Molecular Structure,
2024
DOI:10.1016/j.molstruc.2023.137341
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[2]
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DFT calculations, molecular docking, binding free energy analysis and cytotoxicity assay of 7,7-dimethylaporphine alkaloids with methylenedioxy ring in positions 1 and 2
Computational and Theoretical Chemistry,
2024
DOI:10.1016/j.comptc.2024.114483
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[3]
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2-Methyl-6-(4-aminophenyl)-4,5-dihydro-3(2H)-pyridazinone Synthon for Some New Annelated 1,2,3-Selena/Thiadiazoles and 2H-Diazaphospholes with Anticipated Biological Activity and Quantum Chemical Calculations
Molecules,
2023
DOI:10.3390/molecules28031280
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[4]
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One-Pot Synthesis and Molecular Modeling Studies of New Bioactive Spiro-Oxindoles Based on Uracil Derivatives as SARS-CoV-2 Inhibitors Targeting RNA Polymerase and Spike Glycoprotein
Pharmaceuticals,
2022
DOI:10.3390/ph15030376
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[5]
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Density functional theory, chemical reactivity, and the Fukui functions
Foundations of Chemistry,
2022
DOI:10.1007/s10698-022-09416-z
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[6]
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Thermal behavior, decomposition mechanism by TG/MS/FTIR technique and theoretical study of some symmetric and asymmetric bent-core liquid crystals based on 2,7-dihydroxynaphthalene
Journal of Thermal Analysis and Calorimetry,
2022
DOI:10.1007/s10973-022-11378-5
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[7]
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Electronic band structure of Bi5O7NO3 and its methyl orange removal mechanism
European Journal of Chemistry,
2022
DOI:10.5155/eurjchem.13.3.337-350.2297
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[8]
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Synthesis of Some Mono- and Disaccharide-Grafting Phthalazine Derivatives and Some New Se-Nucleoside Analogues: Antibacterial Properties, Quantum Chemical Calculations, and Cytotoxicity
Molecules,
2022
DOI:10.3390/molecules28010317
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[9]
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Study of the Stability and Chemical Reactivity of a Series of Tetrazole Pyrimidine Hybrids by the Density Functional Theory Method (DFT)
Oriental Journal Of Chemistry,
2021
DOI:10.13005/ojc/370406
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[10]
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Spectroscopic, Thermal, Microbiological, and Antioxidant Study of Alkali Metal 2-Hydroxyphenylacetates
Materials,
2021
DOI:10.3390/ma14247824
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[11]
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Mass Spectral Fragmentation of Pelargonium graveolens Essential Oil Using GC–MS Semi-Empirical Calculations and Biological Potential
Processes,
2020
DOI:10.3390/pr8020128
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