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Manuscript title: Dual Co/Photoredox-Catalyzed Regio- and Stereoselective Synthesis of Highly Functional 1,3-Dienes
Journal: Angew. Chem. Int. Ed.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Funes, Ignacio | |
| dc.date.accessioned | 2025-09-25T07:56:26Z | - |
| dc.date.available | 2025-12-16T14:13:55Z | - |
| dc.date.created | 2025-09-25T09:55:26.739161+02:00 | |
| dc.date.issued | 2025-09-25T09:55:26.739161+02:00 | |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/478751 | - |
| dc.description.abstract | 6_iso_T | |
| dc.publisher | Instituto de Investigación Química de la Universidad de La Rioja (IQUR) | |
| dc.relation | Original title: Dual Co/Photoredox-Catalyzed Regio- and Stereoselective Synthesis of Highly Functional 1,3-Dienes DOI: 10.1002/anie.202522561 Journal: Angew. Chem. Int. Ed. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-579 | - |
| dc.relation.uri | http://dx.doi.org/10.1002/anie.202522561 | * |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2025 | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.subject | enyne | |
| dc.subject | Cobalt | |
| dc.subject | stereoselectivity | |
| dc.subject | diene | |
| dc.subject | DFT calculations | |
| dc.title | 6_iso_T | |
| dc.type | dataset | |
| cml.program.name | Gaussian | |
| cml.program.version | 16 | |
| cml.program.other | ES64L-G16RevC.02 | |
| cml.method | UwB97XD | |
| cml.method | UM06L | |
| cml.method | UM06 | |
| cml.method | UPBE1PBE | |
| cml.basisset | DEF2SVP DEF2TZVPP | |
| cml.multiplicity | 3 | |
| cml.spintype | Unrestricted Unrestricted Unrestricted Unrestricted | |
| cml.shelltype | open | |
| cml.charge | 1 | |
| cml.energy.value | -3552.7588916 | |
| cml.energy.units | Eh | |
| cml.formula.generic | C32H30CoF6N2O3 | |
| cml.calculationtype | Geometry optimization Minimum | |
| cml.hassolvent | true | |
| cml.hasvibrationalfrequencies | true | |
| cml.numberofjobs | 6 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | Cobalt_enyne_ioChem - DOI: 10.19061/iochem-bd-6-579 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/478751
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