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Manuscript title: Building block approach to technetium-substituted polyoxotungstates
Journal: Chem. Commun.
DOI: 10.1039/d5cc06618b
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Hosseini, Farzaneh | |
| dc.date.accessioned | 2025-11-14T09:07:13Z | - |
| dc.date.available | 2026-04-07T13:52:20Z | - |
| dc.date.created | 2025-11-14T10:06:01.132044+01:00 | |
| dc.date.issued | 2025-11-14T10:06:01.132044+01:00 | |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/108230 | - |
| dc.description.abstract | SP6 | |
| dc.publisher | Institute of Chemical Research of Catalonia | |
| dc.relation | Original title: Building block approach to technetium-substituted polyoxotungstates DOI: 10.1039/d5cc06618b Journal: Chem. Commun. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-409 | - |
| dc.relation.uri | http://dx.doi.org/10.1039/d5cc06618b | * |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2025 | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.subject | Technetium | |
| dc.subject | Density functional calculations | |
| dc.subject | POMs | |
| dc.subject | Polyoxometalates | |
| dc.title | H2P2Tc4W20O79_SP6 | |
| dc.type | dataset | |
| cml.program.name | AMS | |
| cml.program.version | 2021.101 | |
| cml.program.other | r94406 | |
| cml.method | PBE0 == Not Default == | |
| cml.basisset | TZP | |
| cml.multiplicity | 7 | |
| cml.spintype | UNrestricted | |
| cml.charge | -10 | |
| cml.energy.value | -1207.216508 | |
| cml.energy.units | eV | |
| cml.formula.generic | H2O79P2Tc4W20 | |
| cml.calculationtype | Single point | |
| cml.hassolvent | true | |
| cml.hasvibrationalfrequencies | false | |
| cml.numberofjobs | 1 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | Tc dimer, Tc- POM-dimer and Tc-POM-Chain - DOI: 10.19061/iochem-bd-1-409 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/108230
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