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Manuscript title: Mechanistic Insights into the Light-Driven Difunctionalization of Alkenes with a Sulfonyl-Based Reagent: A Catalyst-Free Approach
Journal: J. Am. Chem. Soc.
DOI: 10.1021/jacs.5c08562
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Rocha Guimaraes, Ana Beatriz | |
| dc.date.accessioned | 2025-05-20T10:55:30Z | - |
| dc.date.available | 2025-09-25T07:54:26Z | - |
| dc.date.created | 2025-05-20T12:55:25.76088+02:00 | |
| dc.date.issued | 2025-05-20T12:55:25.76088+02:00 | |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/97605 | - |
| dc.description.abstract | opt_²cyc_TS | |
| dc.publisher | University of Bayreuth | |
| dc.relation | Original title: Mechanistic Insights into the Light-Driven Difunctionalization of Alkenes with a Sulfonyl-Based Reagent: A Catalyst-Free Approach DOI: 10.1021/jacs.5c08562 Journal: J. Am. Chem. Soc. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-402 | - |
| dc.relation.uri | http://dx.doi.org/10.1021/jacs.5c08562 | * |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2025 | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.title | opt_²cyc_TS | |
| dc.type | dataset | |
| cml.program.name | Gaussian | |
| cml.program.version | 16 | |
| cml.program.other | AM64L-G16RevA.03 | |
| cml.method | UB3LYP | |
| cml.basisset | DEF2SVP | |
| cml.multiplicity | 2 | |
| cml.spintype | Unrestricted | |
| cml.shelltype | open | |
| cml.charge | 0 | |
| cml.energy.value | -1014.35434195 | |
| cml.energy.units | Eh | |
| cml.formula.generic | C12H15O2S | |
| cml.calculationtype | Geometry optimization TS | |
| cml.hassolvent | true | |
| cml.hasvibrationalfrequencies | true | |
| cml.numberofjobs | 2 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | _Light-Driven_Difunctionalization - DOI: 10.19061/iochem-bd-1-402 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/97605
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