Browsing Chemistry by Author "Lamichhane, Hari Prasad"
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Natural Bond Orbital Analysis of [Fe(H2O)6]2+/3+ and [Zn(H2O)6 ]H2On2+; N=0-4
Pokhrel, Nabaraj; Lamichhane, Hari Prasad (2016-09)Nature of delocalization of the electrons from the ligands to metals in the first coordination sphere of the highspin complexes [Fe(H2O)6]2+/3+ and [Zn(H2O)6]2+ are computationally studied using density functional theory. ...