Synthesis, spectroscopic (FT-IR, FT-Raman, NMR, UV-Visible), Fukui function, antimicrobial and molecular docking study of (E)-1-(3-bromobenzylidene)semicarbazide by DFT method
文摘
Spectral analysis of (E)-1-(3-bromobenzylidene)semicarbazide were investigated. The complete vibrational assignments with PED carried out. NLO behaviors and Fukui function were computed. Thermodynamical properties were analyzed at various temperatures. The antimicrobial and molecular docking studies have been discussed.