Quantum Chemical, experimental spectroscopic, Hirshfeld surface and molecular docking studies of the anti-microbial drug Sulfathiazole
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DOI: 10.1016/j.molstruc.2021.131118
Abstract: Abstract Sulfathiazole (ST) was investigated quantum chemically by DFT approach, surface analysis by Hirshfeld and experimentally by NMR (FT-IR, UV-Visible 1H-NMR and 13C-NMR). The B3LYP method and the 6-311 ++ G (d, p) basis set… read more here.
Keywords: surface molecular; surface; molecular docking; hirshfeld surface ... See more keywords