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Manuscript title: Phosphoryl Radicals from Trivalent Iminyl Phosphines: A Photocatalytic Approach to N-Phosphoryl Azetidines
Journal: Angew. Chem. Int. Ed.
DOI: 10.1002/anie.9986925
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Serapian, Stefano A. | |
| dc.date.accessioned | 2026-04-02T10:09:05Z | - |
| dc.date.available | 2026-05-19T15:32:20Z | - |
| dc.date.created | 2026-04-02T10:08:58.809664Z | |
| dc.date.issued | 2026-04-02T10:08:58.809664Z | |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/492456 | - |
| dc.description.abstract | 42-3diss_wB97XD_def2svp_SMD-DCM_ener_opt_freq | |
| dc.description.sponsorship | Barcelona Supercomputing Center | |
| dc.publisher | Barcelona Supercomputing Center | |
| dc.relation | Original title: Phosphoryl Radicals from Trivalent Iminyl Phosphines: A Photocatalytic Approach to N-Phosphoryl Azetidines DOI: 10.1002/anie.9986925 Journal: Angew. Chem. Int. Ed. | * |
| dc.relation.uri | http://dx.doi.org/10.1002/anie.9986925 | * |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2026 | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.title | /Triplets_and_Bond_Dissociation_Energies 42-3diss_wB97XD_def2svp_SMD-DCM_ener_opt_freq | |
| dc.type | dataset | |
| cml.program.name | Gaussian | |
| cml.program.version | 16 | |
| cml.program.other | ES64L-G16RevC.02 | |
| cml.method | UwB97XD | |
| cml.basisset | DEF2SVP | |
| cml.multiplicity | 3 | |
| cml.spintype | Unrestricted | |
| cml.shelltype | open | |
| cml.charge | 0 | |
| cml.energy.value | -1205.33900491 | |
| cml.energy.units | Eh | |
| cml.formula.generic | C17H20NO2P | |
| cml.calculationtype | Geometry optimization Minimum | |
| cml.hassolvent | true | |
| cml.hasvibrationalfrequencies | true | |
| cml.numberofjobs | 2 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | Iminyl_Phosphines_to_N-Phosphoryl_Azetidines - DOI: 10.19061/iochem-bd-6-627 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/492456
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