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Manuscript title: Energy-Transfer Catalysis Enables the Birch-Type Reduction of 2-Pyridones
Journal: Angew. Chem. Int. Ed.
DOI: 10.1002/anie.9565676
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Hölter, Niklas | |
| dc.date.accessioned | 2026-02-01T11:09:47Z | - |
| dc.date.available | 2026-09-29T14:07:43Z | - |
| dc.date.created | 2026-02-01T12:08:38.983373+01:00 | |
| dc.date.issued | 2026-02-01T12:08:38.983373+01:00 | |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/485571 | - |
| dc.description.abstract | TS-C T1 IRC | |
| dc.publisher | University of Münster | |
| dc.relation | Original title: Energy-Transfer Catalysis Enables the Birch-Type Reduction of 2-Pyridones DOI: 10.1002/anie.9565676 Journal: Angew. Chem. Int. Ed. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-619 | - |
| dc.relation.uri | http://dx.doi.org/10.1002/anie.9565676 | * |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2026 | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.subject | Hydrogenation | |
| dc.subject | Energy transfer | |
| dc.subject | Pyridones | |
| dc.subject | Photocatalysis | |
| dc.title | TS-C_T1_IRC | |
| dc.type | dataset | |
| cml.program.name | Orca | |
| cml.program.version | 6.0.1 | |
| cml.program.other | RELEASE | |
| cml.method | DFT | |
| cml.basisset | def2-TZVP | |
| cml.basisset | DEF2/J | |
| cml.basisset | CPCM(Acetonitrile) | |
| cml.multiplicity | 3 | |
| cml.spintype | Unrestricted | |
| cml.charge | 0 | |
| cml.energy.value | -1107.67008414609700 | |
| cml.energy.units | Eh | |
| cml.formula.generic | C13H15NO2S | |
| cml.calculationtype | Single point | |
| cml.hassolvent | true | |
| cml.hasvibrationalfrequencies | false | |
| cml.numberofjobs | 1 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | pyridone_ent_saturation - DOI: 10.19061/iochem-bd-6-619 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/485571
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