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Manuscript title: Exploring copper β-diketiminate complexes for heterogeneous ammonia oxidation anchored on graphitic surfaces via CH–π and π–π interactions
Journal: Inorg. Chem. Front.
DOI: 10.1039/d5qi01170a
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Nicaso, Marco | - |
| dc.date.accessioned | 2024-12-02T15:18:28Z | - |
| dc.date.available | 2026-06-15T19:14:35Z | - |
| dc.date.created | 2024-12-02T16:18:26.637321+01:00 | - |
| dc.date.issued | 2024-12-02T16:18:26.637321+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/96167 | - |
| dc.description | L2 | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Exploring copper β-diketiminate complexes for heterogeneous ammonia oxidation anchored on graphitic surfaces via CH–π and π–π interactions DOI: 10.1039/d5qi01170a Journal: Inorg. Chem. Front. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-363 | - |
| dc.relation.uri | http://dx.doi.org/10.1039/d5qi01170a | * |
| 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.title | /THF/CuI-NH3_anchoring/L2 L2 | - |
| dc.type | dataset | - |
| dc.date.updated | 2024-12-02T15:18:28Z | - |
| 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.basisset | TZP | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.charge | 0 | en |
| cml.energy.value | -1694.752390 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | C153H76CuF6N3 | en |
| cml.calculationtype | Geometry optimization | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Cu-Diketiminate - DOI: 10.19061/iochem-bd-1-363 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/96167
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