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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Castro Latorre, Pablo | |
| dc.contributor.author | Bruix, Albert | |
| dc.date.accessioned | 2026-05-12T22:21:10Z | - |
| dc.date.available | 2026-05-12T22:21:01.21174Z | |
| dc.date.available | 2026-05-12T22:21:10Z | - |
| dc.date.created | 2026-05-12T22:21:01.21174Z | |
| dc.date.issued | 2026-05-12T22:21:01.21174Z | |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/494436 | - |
| dc.description.abstract | pt6o9_ceo2 | |
| dc.description.sponsorship | Barcelona Supercomputing Center | |
| dc.publisher | Barcelona Supercomputing Center | |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-655 | - |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2026 | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.title | pt6o9_ceo2 | |
| dc.type | dataset | |
| cml.program.name | vasp | |
| cml.program.version | 5.4.4 | |
| cml.program.other | 18Apr17-6-g9f103f2a35 (build Sep 03 2021 08:19:57) gamma-only | |
| cml.method | DFT | |
| cml.shelltype | Open shell | |
| cml.energy.value | -865.58088750 | |
| cml.energy.units | eV | |
| cml.formula.generic | Ce32O73Pt6 | |
| cml.calculationtype | Geometry optimization | |
| cml.hassolvent | false | |
| cml.hasvibrationalfrequencies | false | |
| cml.numberofjobs | 1 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | CO_oxidation_PtOx_Ceria - DOI: 10.19061/iochem-bd-6-655 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/494436
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