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Manuscript title: Dynamic Kinetic Resolution Allows Control of Remote Stereochemistry in Asymmetric Hydrogen Borrowing Alkylation
Journal: Angew. Chem. Int. Ed.
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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Skjelstad, Bastian Bjerkem | - |
| dc.coverage.spatial | ES Barcelona | - |
| dc.date.accessioned | 2024-08-28T12:40:18Z | - |
| dc.date.available | 2025-02-10T13:34:08Z | - |
| dc.date.created | 2024-08-28T14:40:16.531616+02:00 | - |
| dc.date.issued | 2024-08-28T14:40:16.531616+02:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/328117 | - |
| dc.description | Hydride transfer transition state NBO calculation with wB97X-D3BJ/def2-TZVP | - |
| dc.publisher | University of Oxford | - |
| dc.relation | Original title: Dynamic Kinetic Resolution Allows Control of Remote Stereochemistry in Asymmetric Hydrogen Borrowing Alkylation DOI: 10.1002/anie.202424959 Journal: Angew. Chem. Int. Ed. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-399 | - |
| dc.relation.uri | http://dx.doi.org/10.1002/anie.202424959 | * |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2024 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /R_Bu/transP-H_Si_S/HAT_TS_wB97X-D3BJ HAT_TS_nbo_wB97X-D3BJ | - |
| dc.type | dataset | - |
| dc.date.updated | 2024-08-28T12:40:18Z | - |
| cml.program.name | Orca | en |
| cml.program.version | 5.0.3 | en |
| cml.program.other | RELEASE | en |
| cml.basisset | def2-TZVP | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.charge | 0 | en |
| cml.energy.value | -3628.16291967 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C46H57IrFeNOP | en |
| cml.calculationtype | Single point | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | h_borrowing_alkylation - DOI: 10.19061/iochem-bd-6-399 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/328117
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