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A comprehensive review on the synthesis and performance of different zirconium-based adsorbents for the removal of various water contaminants
Zirconium being a peculiar element, has been gaining meticulous attention in both
fundamental and application-based research, which varies from industrial applications to the …
fundamental and application-based research, which varies from industrial applications to the …
Vibrational spectroscopic, quantum computational (DFT), reactivity (ELF, LOL and Fukui), molecular docking studies and molecular dynamic simulation on (6-methoxy …
VSJ Reeda, VB Jothy - Journal of Molecular Liquids, 2023 - Elsevier
Coumarin derivatives are bioactive heterocyclic compounds that have several conventions
in pharmaceutical and biomedical industries that describes their anticoagulant, antibacterial …
in pharmaceutical and biomedical industries that describes their anticoagulant, antibacterial …
Synthesis of 1-piperoylpiperidine investigated through spectroscopy, quantum computation, pharmaceutical activity, docking and MD simulation against breast cancer
Piperoylpiperidine (1-PIP) was crystallized as a single unit by a slow evaporation process,
and it was examined using XRD and FT-IR spectroscopy. The centrosymmetric monoclinic …
and it was examined using XRD and FT-IR spectroscopy. The centrosymmetric monoclinic …
Temperature regulated adsorption and desorption of heavy metals to A-MIL-121: Mechanisms and the role of exchangeable protons
Adsorption is a viable technology to remove trace heavy metals from wastewater, but
regeneration of adsorbents in an economic and environmentally friendly manner often …
regeneration of adsorbents in an economic and environmentally friendly manner often …
[HTML][HTML] Estimation of dipole moments by Solvatochromic shift method, spectroscopic analysis of UV–Visible, HOMO-LUMO, ESP map, Mulliken atomic charges, NBO …
Solvatochromic shift method has been used to estimate ground state (μ g) and excited state
(μ e) dipole moments of benzofuran derivative (5NFMOT) at room temperature in different …
(μ e) dipole moments of benzofuran derivative (5NFMOT) at room temperature in different …
Combinatorial effect of syringic acid-pyrazinamide adduct against luminal type breast cancer investigated through DFT, drug-likeness, and molecular docking …
Luminal type breast cancer is a type of breast cancer that has a favorable prognosis in
comparison to other forms. In accordance with the proliferation index, luminal-type breast …
comparison to other forms. In accordance with the proliferation index, luminal-type breast …
Spectroscopic (FT-IR, FT-Raman, NMR and UV-Vis), ELF, LOL, NBO, and Fukui function investigations on (5-bromo-benzofuran-3-yl)-acetic acid hydrazide (5BBAH) …
SS Khemalapure, VS Katti, CS Hiremath… - Journal of Molecular …, 2019 - Elsevier
Experimental and theoretical spectroscopic studies were performed for the (5-Bromo-
benzofuran-3-yl)-acetic acid hydrazide (5BBAH) molecule. The research work was …
benzofuran-3-yl)-acetic acid hydrazide (5BBAH) molecule. The research work was …
Synthesis, spectral characterization, DFT and in silico ADME studies of the novel pyrido [1, 2-a] benzimidazoles and pyrazolo [3, 4-b] pyridines
AS Badran, MA Ibrahim - Journal of Molecular Structure, 2023 - Elsevier
The chemical behavior of 3-substituted-6, 8-dimethylchromones 1-3 was studied towards
two selected nucleophiles namely 1H-benzimidazol-2-ylacetonitrile (R1) and 5-amino-2, 4 …
two selected nucleophiles namely 1H-benzimidazol-2-ylacetonitrile (R1) and 5-amino-2, 4 …
Synthesis, spectroscopic (FT-IR, FT-Raman, NMR), reactivity (ELF, LOL and Fukui) and docking studies on 3-(2‑hydroxy-3‑methoxy-phenyl)-1-(3-nitro-phenyl) …
The present article encloses synthesis and characterizations of 3-(2‑hydroxy-3‑methoxy-
phenyl)-1-(3-nitro-phenyl)-propenoneby several experimental techniques such as FT-IR, FT …
phenyl)-1-(3-nitro-phenyl)-propenoneby several experimental techniques such as FT-IR, FT …
Synthesis, spectroscopic (FT-IR, FT-Raman, NMR & UV-Vis), reactive (ELF, LOL, Fukui), drug likeness and molecular docking insights on novel 4-[3-(3-methoxy …
The spectroscopic analysis such as FT-IR, FT-Raman, UV-Vis and NMR are conducted for
the synthesized molecule by both experimental and theoretical approach. The theoretical …
the synthesized molecule by both experimental and theoretical approach. The theoretical …