Quantum Chemical, experimental spectroscopic, Hirshfeld surface and molecular docking studies of the anti-microbial drug Sulfathiazole
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Molecular Structure"
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
Surface molecular ionization imaging of gold nanocubes.
Sign Up to like & getrecommendations! Published in 2023 at "Optics express"
DOI: 10.1364/oe.481511
Abstract: The near-field enhancement effect in nanoparticles dominates the dynamical response of the atoms and molecules within the nanosystem when interacting with ultrashort laser pulses. In this work, using the single-shot velocity map imaging technique, the… read more here.
Keywords: surface molecular; ionization; molecular ionization; near field ... See more keywords