Miar, M. et al. Theoretical investigations on the HOMO–LUMO gap and global reactivity descriptor studies, natural bond orbital, and nucleus-independent chemical shifts analyses of 3-phenylbenzo [d] thiazole-2 (3 H)-imine and its…
Comprehensive DFT study of 3-(2-furyl)-1 H-pyrazole-5-carboxylic acid: structural, spectroscopic, and electronic properties with optoelectronic implications
