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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Daelman, Nathan | - |
| dc.date.accessioned | 2023-03-03T10:50:53Z | - |
| dc.date.available | 2025-11-14T10:52:16Z | - |
| dc.date.created | 2023-03-03T11:50:49.33+01:00 | - |
| dc.date.issued | 2023-03-03T11:50:49.33+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/59188 | - |
| dc.description | An alternative state for rearranging SA Pt on oxidized ceria | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2023 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | Pt-2O_with_surface_oxygen | - |
| dc.type | dataset | - |
| dc.date.updated | 2023-03-03T10:50:52Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.4.4 | en |
| cml.program.other | 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex | en |
| cml.method | DFT | en |
| cml.shelltype | Open shell | en |
| cml.energy.value | -867.29398022 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | Ce36O74Pt | 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: | Electronic_ensemble_microkinetics_for_single-atom_catalysts - DOI: 10.19061/iochem-bd-1-237 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/59188
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