DFT calculations on molecular structures, HOMO-LUMO study, reactivity descriptors and spectral analyses of newly synthesized diorganotin(IV) 2-chloridophenylacetohydroxamate complexes. - VineetKumar Choudhary; ArvindKumar Bhatt; Dibyajit Dash; Neeraj Sharma (J. Comput. Chem., 2019)

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)