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Factors affecting Metal-Metal Bonding in the Face-Shared d 3 d 3 Bioctahedral Dimer Systems, MMCl 9 5- (M, M = V, Nb, Ta)

Petrie, Simon; Stranger, Robert

Description

Density functional theory (DFT) calculations have been used to investigate the d3d3 bioctahedral complexes, MM′Cl95-, of the vanadium triad. Broken-symmetry calculations upon these species indicate that the V-containing complexes have optimized metal-me

CollectionsANU Research Publications
Date published: 2002
Type: Journal article
URI: http://hdl.handle.net/1885/85744
Source: Inorganic Chemistry
DOI: 10.1021/ic011250z

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