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Influence of the Ligand on the Coupling between the Metal-Based Electrons in Face-Shared [M 2 X 9 ] 3- (M = Mo, W; X = F, Cl, Br, I Systems

Cavigliasso, German; Stranger, Robert

Description

Orbital overlap and spin polarization effects in Mo and W [M 2X9]3- halide and in [M 2X′3X″6]3- mixed-halide systems have been investigated by means of density-functional calculations performed on the S = 0, S = 3, and reference states of these specie

CollectionsANU Research Publications
Date published: 2003
Type: Journal article
URI: http://hdl.handle.net/1885/76899
Source: Inorganic Chemistry
DOI: 10.1021/ic026291p

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