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Manuscript title: Supramolecular Anchoring of Fe(III) Molecular Redox Catalysts into Graphitic Surfaces Via CH-π and π–π Interactions for CO2 Electroreduction
Journal: Angew. Chem. Int. Ed.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Nicaso, Marco | - |
| dc.date.accessioned | 2023-11-07T16:32:07Z | - |
| dc.date.available | 2023-11-07T16:32:07Z | - |
| dc.date.created | 2023-11-07T17:32:03.713+01:00 | - |
| dc.date.issued | 2023-11-07T17:32:03.713+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/65751 | - |
| dc.description | single point in methanol of graphene optimized in gas phase | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Supramolecular Anchoring of Fe(III) Molecular Redox Catalysts into Graphitic Surfaces Via CH-π and π–π Interactions for CO2 Electroreduction DOI: 10.1002/ange.202412188 Journal: Angew. Chem. Int. Ed. | * |
| dc.relation.uri | http://dx.doi.org/10.1002/ange.202412188 | * |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2023 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | graphene_in_methanol | - |
| dc.type | dataset | - |
| dc.date.updated | 2023-11-07T16:32:06Z | - |
| cml.program.name | AMS | en |
| cml.program.version | 2021.101 | en |
| cml.program.other | r94406 | en |
| cml.method | BP86 | en |
| cml.basisset | DZP | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.charge | 0 | en |
| cml.energy.value | -1649.672743 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | C170H36 | en |
| cml.calculationtype | Single point | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | PorphyrinsCH-pi - DOI: 10.19061/iochem-bd-1-296 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/65751
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