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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Nikačević, Pavle | - |
| dc.date.accessioned | 2021-03-15T13:46:13Z | - |
| dc.date.available | 2021-10-02T09:30:08Z | - |
| dc.date.created | 2021-03-15T14:46:12.587+01:00 | - |
| dc.date.issued | 2021-03-15T14:46:12.587+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/29164 | - |
| dc.description | intermediate 2a | - |
| 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 | /water_oxidation_intermediates/011/split 2a | - |
| dc.type | dataset | - |
| dc.date.updated | 2021-03-15T13:46:13Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.4.4 | en |
| cml.program.other | 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | en |
| cml.method | DFT | en |
| cml.shelltype | Open shell | en |
| cml.energy.value | -1084.86456478 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | H6Bi24O99V24 | en |
| cml.calculationtype | Frequencies | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | true | 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/100/29164
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