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Manuscript title: Water Oxidation Electrocatalysis in Acidic Media with Fe-Containing 2 POMs/Carbon Composites
Journal: Inorg. Chem.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Besora, Maria | - |
| dc.coverage.spatial | ES Tarragona | - |
| dc.date.accessioned | 2025-02-17T22:06:54Z | - |
| dc.date.available | 2025-02-17T22:06:54Z | - |
| dc.date.created | 2025-02-17T23:06:52.139842+01:00 | - |
| dc.date.issued | 2025-02-17T23:06:52.139842+01:00 | - |
| dc.identifier.uri | https://iochem-bd.urv.es/browse/handle/100/2069 | - |
| dc.description | Fe4-SKprotonated-O_-6_20 | - |
| dc.publisher | Universitat Rovira i Virgili | - |
| dc.relation | Original title: Water Oxidation Electrocatalysis in Acidic Media with Fe-Containing 2 POMs/Carbon Composites DOI: 10.1021/acs.inorgchem.4c04422 Journal: Inorg. Chem. | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-2-77 | - |
| dc.relation.uri | http://dx.doi.org/10.1021/acs.inorgchem.4c04422 | - |
| dc.rights | CC BY 4.0 (c) Universitat Rovira i Virgili, 2025 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | Fe4-SKprotonated-O_-6_20 | - |
| dc.type | dataset | - |
| dc.date.updated | 2025-02-17T22:06:54Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 16 | en |
| cml.program.other | ES64L-G16RevA.03 | en |
| cml.method | UB3LYP | en |
| cml.basisset | LANL2DZ 6-31G(D,P) GENECP | en |
| cml.multiplicity | 20 | en |
| cml.spintype | Unrestricted | en |
| cml.shelltype | open | en |
| cml.charge | -6 | en |
| cml.energy.value | -7000.20829475 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | H3Fe4O70P2W18 | en |
| cml.calculationtype | Single point Minimum | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | true | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Fe4-SK_acidic - DOI: 10.19061/iochem-bd-2-77 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.urv.es/browse/handle/100/2069
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