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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Benzidi, Hind | |
| dc.date.accessioned | 2026-02-03T17:24:07Z | - |
| dc.date.available | 2026-11-03T07:53:10Z | - |
| dc.date.created | 2026-02-03T18:22:55.814439+01:00 | |
| dc.date.issued | 2026-02-03T18:22:55.814439+01:00 | |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/113862 | - |
| dc.description.abstract | Auoda_flip | |
| dc.description.sponsorship | Institute of Chemical Research of Catalonia | |
| dc.publisher | Institute of Chemical Research of Catalonia | |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2026 | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.title | /Au_proj_VASP/oda_flip/Auoda_flip Auoda_flip | |
| dc.type | dataset | |
| cml.program.name | vasp | |
| cml.program.version | 6.4.2 | |
| cml.program.other | 20Jul23 (build Apr 19 2024 10:32:06) complex | |
| cml.method | DFT | |
| cml.shelltype | Closed shell | |
| cml.energy.value | -1086.77767083 | |
| cml.energy.units | eV | |
| cml.formula.generic | C54H117Au64N3 | |
| cml.calculationtype | Single point | |
| cml.hassolvent | false | |
| cml.hasvibrationalfrequencies | false | |
| cml.numberofjobs | 1 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | Au_oda project - DOI: 10.19061/iochem-bd-1-415 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/113862
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