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(3H)-imine and its para-substituted derivatives: Solvent and subs

Article abstract of DOI:10.1177/1747519820932091

Natural bond orbital analysis, salvation, and substituent effects of electron-releasing (–CH₃, –OH) and electron-withdrawing (–Cl, –NO₂, –CF₃) groups at para positions on the molecular structure of synthesized 3-phenylbenz