Zobrazeno 1 - 5 of 5 pro vyhledávání: '"Farah Manzer Manhas"'
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Akademický článek
Molecular dynamic, Hirshfeld surface, molecular docking and drug likeness studies of a potent anti-oxidant, anti-malaria and anti-Inflammatory medicine: Pyrogallol
Autor: M. Amin Mir, Farah Manzer Manhas, Kim Andrews, Syed M Hasnain, Abid Iqbal, Shama Sehar, Adnan Younis
Publikováno v: Results in Chemistry, Vol 5, Iss , Pp 100763- (2023)
Pyrogallol (1, 2, 3-trihydroxybenzene) was studied by computational study analysis using density functional theory (DFT), B3LYP method using 6-311++G (d, p) as basis set. The computational study was done involving IR, UV–visible, H NMR and other pa
Externí odkaz: https://doaj.org/article/51a72c123c2e4319acab6724991e7a69
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2
Experimental Spectroscopic, Quantum Chemical, Molecular Docking, and Molecular Dynamic Simulation Studies on Hydantoin (Monomer and Dimer)
Autor: Shikha Sharma, Aysha Fatima, Farah Manzer Manhas, Neha Agarwal, Meenakshi Singh, S. Muthu, Nazia Siddiqui, Saleem Javed
Publikováno v: Polycyclic Aromatic Compounds. :1-27
The quantum chemical properties of hydantoin (imidazolidine-2,4-dione) have been studied by the DFT method (density functional theory) and experimentally by FT-IR, UV–Vis, 1H, and 13 C NMR. The B3LYP technique is used to determine HOMO-LUMO, vibrat
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::21beb709b8b263f40a14ac08260b3277
https://doi.org/10.1080/10406638.2022.2123540
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