Subject
Inorganic Chemistry,Organic Chemistry,Spectroscopy,Analytical Chemistry
Cited by
16 articles.
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1. Reveal the main factors and adsorption behavior influencing the adsorption of pollutants on natural mineral adsorbents: Based on machine learning modeling and DFT calculation;Separation and Purification Technology;2024-03
2. Adsorption of CO2/CH4/N2 by different functional groups in coal doped with N, S, and Na atoms: A DFT and GCMC study;Fuel;2024-02
3. Synthesis, SC-XRD structure, spectroscopy, intermolecular interactions, DFT/TD-DFT investigation, and (static, dynamic) NLO properties of (2E,5Z)-3-(4-fluorophenyl)-2-(4-fluorophenylimino)-5-((E)-3-(2-nitrophenyl) allyliden) thiazolidin-4-one;Journal of Molecular Structure;2024-02
4. DFT Computational Studies, Spectroscopic (UV–Vis, IR, NMR), In Silico Molecular Docking and ADME Study of 3-(3-Methylpyridin-2-yl)-5-phenyl-1,2,4-oxadiazole;Journal of Molecular Structure;2024-01
5. Quantum computations of non-steroidal anti-inflammatory drug molecules using Density Functional Theory;Chemical Physics Impact;2023-12