A combined experimental and DFT investigation of disazo dye having pyrazole skeleton

Synthesis and DFT calculation of a novel 5,17-di(2-antracenylazo)-25,27-di(ethoxycarbonylmethoxy)-26,28-dihydroxycalix[4]arene

Synthesis, crystal structure and ab initio/DFT calculations of a derivative of dithiophosphonates

Synthesis, spectroscopic (FT-IR and NMR), DFT and molecular docking studies of ethyl 1-(3-nitrophenyl)-5-phenyl-3-((4-(trifluoromethyl)phenyl)carbamoyl)-1H-pyrazole-4-carboxylate

Synthesis, characterization of novel mannich bases and their acetylcholinesterase and glutathione S-transferase inhibitory properties: An in vitro and in silico mechanism research

Quantum chemical characterization and molecular docking analysis of Hydroxychloroquine on noble Metal-Loaded silica nano Composites: Implications for COVID-19 drug discovery