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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Tangpakonsab, Parinya | - |
| dc.coverage.spatial | ES Barcelona | - |
| dc.date.accessioned | 2025-01-30T18:07:38Z | - |
| dc.date.available | 2025-01-30T18:07:38Z | - |
| dc.date.created | 2025-01-30T19:07:36.428623+01:00 | - |
| dc.date.issued | 2025-01-30T19:07:36.428623+01:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/337536 | - |
| dc.description | step_2 | - |
| dc.publisher | Institute of Materials Chemistry, TU Wien | - |
| dc.publisher | Institute of Applied Physics, TU Wien | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-442 | - |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2025 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /CO_oxidation 2 | - |
| dc.type | dataset | - |
| dc.date.updated | 2025-01-30T18:07:38Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 6.4.1 | en |
| cml.program.other | 05Apr23 (build May 23 2023 13:30:57) complex | en |
| cml.method | DFT | en |
| cml.shelltype | Open shell | en |
| cml.energy.value | -416.04826611 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | CCe16CuO33 | en |
| cml.calculationtype | Single point | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Cu_CeO2_SAC - DOI: 10.19061/iochem-bd-6-442 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/337536
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