Actions:

View dataDownload geometry
Files in This Item:
File  
CONTCARDownload
CHGCARDownload
INCARDownload
output.cmlDownload
Referenced by:

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: Na-PB_HSE03_optimisation
Authors: Hegner, Franziska Simone
Keywords: Density functional calculations
Issue Date: 12-Apr-2017
Publisher: Institute of Chemical Research of Catalonia, Tarragona
Description: NaFe[Fe(CN)6] - Prussian blue with Na (in tetrahedral holes) as countercation
URI: https://iochem-bd.iciq.es/browse/handle/100/2104
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/100/2104

Item files in Browse  Creative Commons License
HTML5 resume (see conditions inside)Creative Commons License