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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Seemakurthi, Ranga Rohit | |
| dc.date.accessioned | 2025-10-13T10:52:06Z | - |
| dc.date.available | 2026-07-26T19:06:43Z | - |
| dc.date.created | 2025-10-13T12:51:46.529716+02:00 | |
| dc.date.issued | 2025-10-13T12:51:46.529716+02:00 | |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/107837 | - |
| dc.description.abstract | opt | |
| dc.publisher | Institute of Chemical Research of Catalonia | |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2025 | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.title | /Co/100/adsorption/COCO opt | |
| dc.type | dataset | |
| cml.program.name | vasp | |
| cml.program.version | 5.4.4 | |
| cml.program.other | 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | |
| cml.method | DFT | |
| cml.shelltype | Open shell | |
| cml.energy.value | -511.70993994 | |
| cml.energy.units | eV | |
| cml.formula.generic | C2Co72O2 | |
| cml.calculationtype | Geometry optimization | |
| cml.hassolvent | false | |
| cml.hasvibrationalfrequencies | false | |
| cml.numberofjobs | 1 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | LCH_metals - DOI: 10.19061/iochem-bd-1-391 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/107837
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