Density functional theory studies on molecular geometry, spectroscopy, HOMO-LUMO and reactivity descriptors of titanium(IV) and oxidozirconium(IV) complexes of phenylacetohydroxamic acid.
VineetKumar ChoudharyKanika MandhanDibyajit DashSachin BhardwajMeena KumariNeeraj SharmaPublished in: J. Comput. Chem. (2022)