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Manuscript title: Triplet state reactivity of iminium ions in organocatalytic asymmetric [2 + 2] photocycloadditions
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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Serapian, Stefano A. | - |
| dc.coverage.spatial | ES Barcelona | - |
| dc.date.accessioned | 2024-11-28T16:34:40Z | - |
| dc.date.available | 2025-10-06T11:45:56Z | - |
| dc.date.created | 2024-11-28T17:34:38.280331+01:00 | - |
| dc.date.issued | 2024-11-28T17:34:38.280331+01:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/331978 | - |
| dc.description | back_to_unobserved-enantiomer-of-9_opt | - |
| dc.publisher | University of Pavia | - |
| dc.relation | Original title: Triplet state reactivity of iminium ions in organocatalytic asymmetric [2 + 2] photocycloadditions DOI: 10.1038/s41557-025-01960-3 | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-426 | - |
| dc.relation.uri | http://dx.doi.org/10.1038/s41557-025-01960-3 | * |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2024 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | 2+2 cycloaddition | - |
| dc.subject | TD-DFT | - |
| dc.subject | dearomatisation | - |
| dc.subject | Photocatalysis | - |
| dc.title | back_to_unobserved-enantiomer-of-9_opt | - |
| dc.type | dataset | - |
| dc.date.updated | 2024-11-28T16:34:40Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 16 | en |
| cml.program.other | ES64L-G16RevC.02 | en |
| cml.method | UwB97XD | en |
| cml.basisset | 6-31+G(D,P) | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Unrestricted | en |
| cml.shelltype | open | en |
| cml.charge | 2 | en |
| cml.energy.value | -1479.23523495 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C32H35N3O | en |
| cml.calculationtype | Geometry optimization Minimum | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | true | en |
| cml.numberofjobs | 2 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | iminium-ion-2+2-photocycloaddition - DOI: 10.19061/iochem-bd-6-426 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/331978
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