Density functional theory studies on molecular geometry, spectroscopy, HOMO-LUMO and reactivity descriptors of titanium(IV) and oxidozirconium(IV) complexes of phenylacetohydroxamic acid. - VineetKumar Choudhary; Kanika Mandhan; Dibyajit Dash; Sachin Bhardwaj; Meena Kumari; Neeraj Sharma (J. Comput. Chem., 2022)