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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 | 2022-12-06T12:53:17Z | - |
| dc.date.available | 2023-02-28T12:20:28Z | - |
| dc.date.created | 2022-12-06T13:53:15.96+01:00 | - |
| dc.date.issued | 2022-12-06T13:53:15.96+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/53390 | - |
| dc.description | The model of melon-2D | - |
| 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.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 melon-2D | - |
| dc.type | dataset | - |
| dc.date.updated | 2022-12-06T12:53:17Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 6.1.0 | en |
| cml.program.other | 28Jan20 (build Feb 27 2020 09:57:40) complex | en |
| cml.method | DFT | en |
| cml.shelltype | Open shell | en |
| cml.energy.value | -1656.83892032 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | C72H30N102O6 | 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/100/53390
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