Matin, Mohammad A.; Islam, Mazharul M.; Bredow, Thomas; Aziz, Mohammed Abdul
(Delaware : Scientific Research Publishing Inc., 2017)
In this study, in order to explain the solvent and spin state effects on the molecular structure of catechol-Fe complex [Fe(cat)3]n﹣ where n = 2 and 3, Hartree Fock (HF)-Density Functional Theory (DFT) hybrid calculations ...