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Set of calculations on the super-reduction of the Dawson-like polyoxometalate [P₂W₁₅Mo₃]⁶⁻ electronic structure at different reduction stages, demonstrating that the Mo(III) oxidation state can be accessed.

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This dataset derived results are published in:

Manuscript title: Super-reduction of Polyoxometalates: Unlocking the Oxidation 2 State of Metalate Centers down to (III)

Journal: JACS

DOI: 10.1021/jacs.5c15650