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Manuscript title: Molecular Hybrid Materials for Selective CO2 Electroreduction to Multicarbon Products
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | García-Padilla, Eduardo | - |
| dc.date.accessioned | 2024-07-04T10:58:04Z | - |
| dc.date.available | 2024-08-09T11:28:32Z | - |
| dc.date.created | 2024-07-04T12:58:02.807639+02:00 | - |
| dc.date.issued | 2024-07-04T12:58:02.807639+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/79292 | - |
| dc.description | A2T-freq | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Molecular Hybrid Materials for Selective CO2 Electroreduction to Multicarbon Products DOI: 10.1002/aenm.202402070 | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-331 | - |
| dc.relation.uri | http://dx.doi.org/10.1002/aenm.202402070 | * |
| 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 | Carbon dioxide fixation | - |
| dc.subject | Carbonyl ligands | - |
| dc.subject | Porphyrinoids | - |
| dc.subject | Iron | - |
| dc.subject | Copper | - |
| dc.title | A2T-freq | - |
| dc.type | dataset | - |
| dc.date.updated | 2024-07-04T10:58:04Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 16 | en |
| cml.program.other | AM64L-G16RevA.03 | en |
| cml.method | ONIOM | en |
| cml.method | B3LYP | en |
| cml.method | UFF | en |
| cml.basisset | DUMMY MIXED | en |
| cml.multiplicity | 3 | en |
| cml.multiplicity | 3 | en |
| cml.multiplicity | 3 | en |
| cml.spintype | en | |
| cml.shelltype | open | en |
| cml.charge | 0 | en |
| cml.charge | 0 | en |
| cml.charge | 0 | en |
| cml.energy.value | -5632.85187909 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C53H46Cu192FeN6OS2 | en |
| cml.calculationtype | Single point Structure | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | FePorphyrinCu_CO - DOI: 10.19061/iochem-bd-1-331 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/79292
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