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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Bruix, Albert | - |
| dc.coverage.spatial | ES Barcelona | - |
| dc.date.accessioned | 2023-10-24T09:17:53Z | - |
| dc.date.available | 2023-10-24T09:17:53Z | - |
| dc.date.created | 2023-10-24T11:17:51.627+02:00 | - |
| dc.date.issued | 2023-10-24T11:17:51.627+02:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/312265 | - |
| dc.description | 4oxy, dir_Ag140_4oxy_4fold_comb2 | - |
| dc.publisher | Universitat de Barcelona | - |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2023 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | metal nanoparticles | - |
| dc.subject | silver | - |
| dc.subject | DFT | - |
| dc.subject | Nanoparticles | - |
| dc.subject | oxygen adsorption | - |
| dc.subject | density functional theory | - |
| dc.subject | AgO | - |
| dc.subject | Ag | - |
| dc.subject | oxidized metals | - |
| dc.title | 4oxy,_dir_Ag140_4oxy_4fold_comb2 | - |
| dc.type | dataset | - |
| dc.date.updated | 2023-10-24T09:17:53Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.4.4 | en |
| cml.program.other | 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only | en |
| cml.method | DFT | en |
| cml.shelltype | Closed shell | en |
| cml.energy.value | -369.09272094 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | O4Ag140 | 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: | Oxidized_Ag_Nanoparticles - DOI: 10.19061/iochem-bd-6-296 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/312265
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