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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. Density functional theory studies on molecular geometry, spectroscopy, HOMO-LUMO and reactivity descriptors of titanium(IV) and oxidozirconium(IV) complexes of phenylacetohydroxamic acid. Journal of Computational Chemistry, 43(31):2060-2071, 2022. [doi]

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