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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Chuong Nguyën, Huu | - |
| dc.date.accessioned | 2021-11-23T16:48:31Z | - |
| dc.date.available | 2023-01-16T12:16:36Z | - |
| dc.date.created | 2021-11-23T17:48:29.044+01:00 | - |
| dc.date.issued | 2021-11-23T17:48:29.044+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/34213 | - |
| dc.description | beta cell for polaron | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2021 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | polaron_init_final | - |
| dc.type | dataset | - |
| dc.date.updated | 2021-11-23T16:48:31Z | - |
| 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 | -360.96810607 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | Co16Au48O16 | 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: | STM_Au_CoO - DOI: 10.19061/iochem-bd-1-218 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/34213
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