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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Segado, Mireia | |
| dc.date.accessioned | 2026-01-13T12:18:54Z | - |
| dc.date.available | 2026-01-13T13:18:12.487553+01:00 | |
| dc.date.available | 2026-01-13T12:18:54Z | - |
| dc.date.created | 2026-01-13T13:18:12.487553+01:00 | |
| dc.date.issued | 2026-01-13T13:18:12.487553+01:00 | |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/110078 | - |
| dc.description.abstract | Qmodel3_MDC_TZP | |
| 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 | /Decametalates/Ta/Qmodel3_MDC_TZP Qmodel3_MDC_TZP | |
| dc.type | dataset | |
| cml.program.name | ADF | |
| cml.program.version | 2019 | |
| cml.method | BP86 | |
| cml.basisset | TZP | |
| cml.spintype | Restricted | |
| cml.charge | -6 | |
| cml.formula.generic | O28Ta10 | |
| cml.calculationtype | Single point | |
| cml.hassolvent | true | |
| cml.hasvibrationalfrequencies | false | |
| cml.numberofjobs | 1 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | POMsDB - DOI: 10.19061/iochem-bd-1-224 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/110078
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