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Referenced by:
Manuscript title: Photocatalytic CO2 reduction by Ni-substituted polyoxometalates: structure-activity relationships and mechanistic insights
Journal: Appl. Catal., B
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Penas, Francesc | - |
| dc.coverage.spatial | ES Barcelona | - |
| dc.date.accessioned | 2023-10-09T12:11:51Z | - |
| dc.date.available | 2024-01-08T13:02:45Z | - |
| dc.date.created | 2023-10-09T14:11:46.929+02:00 | - |
| dc.date.issued | 2023-10-09T14:11:46.929+02:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/312053 | - |
| dc.description | oxidized photosensitizer Ru(bpy)3 | - |
| dc.publisher | College de France | - |
| dc.publisher | Universitat Rovira i Virgili | - |
| dc.relation | Original title: Photocatalytic CO2 reduction by Ni-substituted polyoxometalates: structure-activity relationships and mechanistic insights DOI: 10.1016/j.apcatb.2023.123681 Journal: Appl. Catal., B | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-293 | - |
| dc.relation.uri | http://dx.doi.org/10.1016/j.apcatb.2023.123681 | * |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2023 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Ni4 containing | - |
| dc.subject | Protonation | - |
| dc.subject | Photocatalysis | - |
| dc.subject | Polyoxometalates | - |
| dc.subject | Rubpy3 | - |
| dc.subject | DFT | - |
| dc.subject | Reduction | - |
| dc.subject | Keggin | - |
| dc.subject | Sandwich complexes | - |
| dc.title | RuIIIbpy3 | - |
| dc.type | dataset | - |
| dc.date.updated | 2023-10-09T12:11:50Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 16 | en |
| cml.program.other | ES64L-G16RevC.02 | en |
| cml.method | UwB97XD | en |
| cml.basisset | LANL2DZ 6-31G(D,P) GEN | en |
| cml.multiplicity | 2 | en |
| cml.spintype | Unrestricted | en |
| cml.shelltype | open | en |
| cml.charge | 3 | en |
| cml.energy.value | -1579.25564214 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C30H24N6Ru | en |
| cml.calculationtype | Geometry optimization Minimum | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | true | en |
| cml.numberofjobs | 2 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Ni-disubstituted sandwich Keggin dimer for CO2 photoreduction - DOI: 10.19061/iochem-bd-6-293 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/312053
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