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CONTCAR7.97 kBDownload
CHGCAR50.05 MBDownload
INCAR1.27 kBDownload
output.cml3.98 MBDownload
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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: K2-PW_HSE03_optimisation
Authors: Hegner, Franziska Simone
Institute of Chemical Research of Catalonia
Keywords: Density functional calculations
Issue Date: 12-Apr-2017
Publisher: Institute of Chemical Research of Catalonia, Tarragona
Related to: 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
Description: K2Fe[Fe(CN)6] - Prussian white with K as countercation
URI: https://www.iochem-bd.org//handle/10/3080
Appears in Collections:Database_Prussian_blue_derivatives



Please use this identifier to cite or link to this item: https://www.iochem-bd.org//handle/10/3080

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