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Manuscript title: Insights into the Role of Graphitic Carbon Nitride as a Photobase in Proton-Coupled Electron Transfer in (sp3)C‒H Oxygenation of Oxazolidinones
Journal: Angew. Chem. Int. Ed.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Nikačević, Pavle | - |
| dc.date.accessioned | 2022-06-13T16:45:17Z | - |
| dc.date.available | 2023-02-28T12:20:29Z | - |
| dc.date.created | 2022-06-13T18:45:15.838+02:00 | - |
| dc.date.issued | 2022-06-13T18:45:15.838+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/40315 | - |
| dc.description | mpg-CNH with 4 layers | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Insights into the Role of Graphitic Carbon Nitride as a Photobase in Proton-Coupled Electron Transfer in (sp3)C‒H Oxygenation of Oxazolidinones DOI: 10.1002/anie.202301815 Journal: Angew. Chem. Int. Ed. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-249 | - |
| dc.relation.uri | http://dx.doi.org/10.1002/anie.202301815 | * |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2022 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /Carbon_Nitride g-CNH_4layers | - |
| dc.type | dataset | - |
| dc.date.updated | 2022-06-13T16:45:17Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.4.4 | en |
| cml.program.other | 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | en |
| cml.method | DFT | en |
| cml.shelltype | Open shell | en |
| cml.energy.value | -1904.20306310 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | C96HN128 | en |
| cml.calculationtype | Geometry optimization | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Oxazolidinone_oxidation_DFT - DOI: 10.19061/iochem-bd-1-249 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/40315
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