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| File | Description | Size | |
|---|---|---|---|
| KPOINTS_2 | 58 B | Download | |
| CONTCAR | 7.01 kB | Download | |
| CHGCAR | 50.03 MB | Download | |
| INCAR | 1.27 kB | Download | |
| output.cml | 3.49 MB | Download |
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.
Metadata:
| Title: | BG_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: | Fe[Fe(CN)6] - Berlin green |
| URI: | https://www.iochem-bd.org//handle/10/3092 |
| Appears in Collections: | Database_Prussian_blue_derivatives |
Please use this identifier to cite or link to this item:
https://www.iochem-bd.org//handle/10/3092
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