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Manuscript title: A Database of the Structural and Electronic Properties of Prussian Blue, Prussian White, and Berlin Green Compounds through Density Functional Theory

Journal: Inorg. Chem.

DOI: 10.1021/acs.inorgchem.6b02200

Metadata:

Title: f-Na2-PW_PBEsol+U_optimisation
Authors: Hegner, Franziska Simone
Keywords: Density functional calculations
Issue Date: 12-Apr-2017
Publisher: Institute of Chemical Research of Catalonia, Tarragona
Description: Na2Fe[Fe(CN)6] - Prussian white with Na (at faces) as countercation; Ueff = 5.5 eV
URI: https://iochem-bd.iciq.es/browse/handle/100/2091
Appears in Collections:Database_Prussian_blue_derivatives



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/2091

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