Atomic Orbital Energy Matching vs Overlap in Actinide-Ligand Dative Bonding.
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DOI: 10.1021/acs.inorgchem.5c04679
Abstract: Prebonding conditions and dative bond formation in actinide(IV)hexachloride complexes with U, Np, and Pu are studied by density functional theory (DFT) calculations, focusing on the interplay of atomic orbital (AO) overlap and AO energy matching… read more here.
Keywords: energy; orbital energy; ligand; energy matching ... See more keywords