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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Nikačević, Pavle | - |
| dc.date.accessioned | 2021-03-15T13:47:18Z | - |
| dc.date.available | 2021-10-02T09:30:01Z | - |
| dc.date.created | 2021-03-15T14:47:16.822+01:00 | - |
| dc.date.issued | 2021-03-15T14:47:16.822+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/29191 | - |
| dc.description | split vacancy at the position s1 | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-203 | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2021 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /011_vacancies s1 | - |
| dc.type | dataset | - |
| dc.date.updated | 2021-03-15T13:47:18Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.4.4 | en |
| cml.program.other | 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | en |
| cml.method | DFT | en |
| cml.shelltype | Open shell | en |
| cml.energy.value | -1038.72916564 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | Bi24O95V24 | 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: | BiVO4_vacancies_selectivity - DOI: 10.19061/iochem-bd-1-203 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/29191
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