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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Hegner, Franziska Simone | - |
| dc.date.accessioned | 2017-10-16T07:32:06Z | - |
| dc.date.available | 2017-10-16T07:32:06Z | - |
| dc.date.created | 2017-10-16T09:31:54.873+02:00 | - |
| dc.date.issued | 2017-10-16T09:31:54.873+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/5664 | - |
| dc.description | CoFe-PB in lsls magnetic configuration with one incorporated water molecule | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2017 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | hsls-KCoFe(CN)6+H2O_HSE03-13 | - |
| dc.type | dataset | - |
| dc.date.updated | 2017-10-16T07:32:05Z | - |
| cml.shelltype | Open shell | en |
| cml.energy.value | -563.79668070 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | C24H2Co4Fe4N24OK4 | en |
| cml.calculationtype | Geometry optimization | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Photoanodes_Fe2O3_CoFe-PB - DOI: 10.19061/iochem-bd-1-51 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/5664
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