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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Capdevila, Marçal | - |
| dc.date.accessioned | 2016-09-14T16:45:03Z | - |
| dc.date.available | 2016-09-14T16:45:03Z | - |
| dc.date.created | 2016-09-14T18:45:02.169+02:00 | - |
| dc.date.issued | 2016-09-14T18:45:02.169+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/848 | - |
| dc.description | CeO2(100) CeO4-terminated, 13-layer thick. | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2016 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | CeO4-t_13L | - |
| dc.type | dataset | - |
| dc.date.updated | 2016-09-14T16:45:03Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.3.3 | en |
| cml.program.other | 18Dez12 (build Jan 17 2013 15:17:09) complex | en |
| cml.shelltype | Closed shell | en |
| cml.energy.value | -523.79343949 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | N/A | 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: | CeO2(100) | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/848
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