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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.
Metadata:
Title: | BG_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: | Fe[Fe(CN)6] - Berlin green; Ueff = 5.5 eV |
URI: | https://iochem-bd.iciq.es/browse/handle/100/2136 |
Appears in Collections: | Database_Prussian_blue_derivatives - DOI: 10.19061/iochem-bd-1-20 |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/2136