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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Bo, Carles | - |
| dc.date.accessioned | 2021-04-12T14:57:34Z | - |
| dc.date.available | 2021-04-12T14:57:34Z | - |
| dc.date.created | 2021-04-12T16:57:33.37+02:00 | - |
| dc.date.issued | 2021-04-12T16:57:33.37+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/29335 | - |
| dc.description | Symmetry C(2V) | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Full paper DOI: 10.1002/chem.201200801 Journal: Chem. Eur. J. | * |
| dc.relation.uri | http://dx.doi.org/10.1002/chem.201200801 | * |
| 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 | /Ta K-Cs | - |
| dc.type | dataset | - |
| dc.date.updated | 2021-04-12T14:57:34Z | - |
| 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 | -15 | en |
| cml.formula.generic | Cs4O148K12TaU28 | en |
| cml.calculationtype | Geometry optimization | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | A Journey inside the U28 Nanocapsule | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/29335
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