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Manuscript title: Super-reduction of Polyoxometalates: Unlocking the Oxidation 2 State of Metalate Centers down to (III)
Journal: JACS
DOI: 10.1021/jacs.5c15650
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Puiggalí I Jou, Jordi | - |
| dc.coverage.spatial | ES Tarragona | - |
| dc.date.accessioned | 2025-03-31T13:47:09Z | - |
| dc.date.available | 2025-10-29T15:38:35Z | - |
| dc.date.created | 2025-03-31T15:47:07.894918+02:00 | - |
| dc.date.issued | 2025-03-31T15:47:07.894918+02:00 | - |
| dc.identifier.uri | https://iochem-bd.urv.es/browse/handle/100/2213 | - |
| dc.description | Mo3H_Trip_CASSCF_12_12 | - |
| dc.publisher | Universitat Rovira i Virgili | - |
| dc.relation | Original title: Super-reduction of Polyoxometalates: Unlocking the Oxidation 2 State of Metalate Centers down to (III) DOI: 10.1021/jacs.5c15650 Journal: JACS | * |
| dc.relation.uri | http://dx.doi.org/10.1021/jacs.5c15650 | * |
| dc.rights | CC BY 4.0 (c) Universitat Rovira i Virgili, 2025 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /CASSCF_Calculations_on_XII_reduced_species Mo3H_Trip_CASSCF_12_12 | - |
| dc.type | dataset | - |
| dc.date.updated | 2025-03-31T13:47:09Z | - |
| cml.program.name | Molcas | en |
| cml.program.version | 23.10 | en |
| cml.method | CASSCF | en |
| cml.basisset | LANL2DZ 6-31G | en |
| cml.multiplicity | 3 | en |
| cml.charge | -5 | en |
| cml.formula.generic | H13Mo3O62P2W15 | en |
| cml.calculationtype | Single point | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | P2W15Mo3_Super_Reduction | |
Please use this identifier to cite or link to this item:
https://iochem-bd.urv.es/browse/handle/100/2213
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