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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Rellán, Marcos | - |
| dc.date.accessioned | 2019-09-18T19:04:36Z | - |
| dc.date.available | 2023-01-16T12:20:08Z | - |
| dc.date.created | 2019-09-18T21:04:35.129+02:00 | - |
| dc.date.issued | 2019-09-18T21:04:35.129+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/21144 | - |
| dc.description | structure | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2019 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /F2F_20th-September-2019_ETH//F2F_20th-September-2019_ETH Au_CeO2 TDA_diss_Au100CeO2 | - |
| dc.type | dataset | - |
| dc.date.updated | 2019-09-18T19:04:36Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.4.4 | en |
| cml.program.other | 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | en |
| cml.method | DFT | en |
| cml.shelltype | Closed shell | en |
| cml.energy.value | -1559.14701654 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | C7H10Ce54Au36N2O108 | 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: | Covestro - DOI: 10.19061/iochem-bd-1-135 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/21144
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