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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Buils, Jordi | - |
| dc.date.accessioned | 2024-08-21T12:34:14Z | - |
| dc.date.available | 2025-04-01T08:56:56Z | - |
| dc.date.created | 2024-08-21T14:34:13.139859+02:00 | - |
| dc.date.issued | 2024-08-21T14:34:13.139859+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/88371 | - |
| dc.description | Geom. opt. with frequencies | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-338 | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2024 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Tungsten | - |
| dc.subject | Keggin | - |
| dc.subject | Density functional calculations | - |
| dc.subject | Raman spectroscopy | - |
| dc.subject | Vanadium | - |
| dc.subject | NMR spectroscopy | - |
| dc.subject | Polyoxometalates | - |
| dc.subject | IR spectroscopy | - |
| dc.title | IR_B-α-PV3W9O39 | - |
| dc.type | dataset | - |
| dc.date.updated | 2024-08-21T12:34:14Z | - |
| cml.program.name | AMS | en |
| cml.program.version | 2021.101 | en |
| cml.program.other | r94406 | en |
| cml.method | BP86 | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.charge | -6 | en |
| cml.energy.value | -458.979050 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | O39PV3W9 | en |
| cml.calculationtype | Frequencies | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | true | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Metal_mixed_Keggin - DOI: 10.19061/iochem-bd-1-338 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/88371
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