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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Segado, Mireia | - |
| dc.date.accessioned | 2022-04-06T13:56:21Z | - |
| dc.date.available | 2022-04-06T13:56:21Z | - |
| dc.date.created | 2022-04-06T15:56:19.843+02:00 | - |
| dc.date.issued | 2022-04-06T15:56:19.843+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/39365 | - |
| dc.description | Qmodel3 | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-242 | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2022 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /Qmodel3 Qmodel3 | - |
| dc.type | dataset | - |
| dc.date.updated | 2022-04-06T13:56:21Z | - |
| cml.program.name | ADF | en |
| cml.program.version | 2019 | en |
| cml.method | BP86 | en |
| cml.basisset | TZP | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.charge | -17 | en |
| cml.formula.generic | AlNb12O40 | en |
| cml.calculationtype | Single point | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | AlNb12 - DOI: 10.19061/iochem-bd-1-242 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/39365
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