Actions:

View dataDownload geometry
Files in This Item:
File Description Size 
CONTCAR7.5 kBDownload
CHGCAR50.08 MBDownload
INCAR1.24 kBDownload
output.cml6.45 MBDownload
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: Fr-PB_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: FrFe[Fe(CN)6] - Prussian blue with Fr as countercation
URI: https://www.iochem-bd.org//handle/10/3088
Appears in Collections:Database_Prussian_blue_derivatives



Please use this identifier to cite or link to this item: https://www.iochem-bd.org//handle/10/3088

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