ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Referenced by:
Manuscript title: Dynamic Kinetic Resolution Allows Control of Remote Stereochemistry in Asymmetric Hydrogen Borrowing Alkylation
Journal: Angew. Chem. Int. Ed.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Skjelstad, Bastian Bjerkem | - |
| dc.coverage.spatial | ES Barcelona | - |
| dc.date.accessioned | 2024-08-28T12:44:44Z | - |
| dc.date.available | 2025-02-10T13:34:01Z | - |
| dc.date.created | 2024-08-28T14:44:41.994185+02:00 | - |
| dc.date.issued | 2024-08-28T14:44:41.994185+02:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/328178 | - |
| dc.description | Intermediate single point with wB97X-D3BJ/def2-QZVP | - |
| 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_Me/transP-H_Si_S/Int_wB97X-D3BJ Int_sp_wB97X-D3BJ | - |
| dc.type | dataset | - |
| dc.date.updated | 2024-08-28T12:44:44Z | - |
| cml.program.name | Orca | en |
| cml.program.version | 5.0.3 | en |
| cml.program.other | RELEASE | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.charge | 0 | en |
| cml.energy.value | -3510.28576220 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C43H51IrFeNOP | 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/100/328178
Item files in Browse 
HTML5 resume (see conditions inside)