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Manuscript title: Ni-Catalyzed Decarboxylative Silylation of Alkynyl Carbonates: Access to Chiral Allenes via Enantiospecific Conversions
Journal: Org. Lett.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Villar-Yanez, Alba | - |
| dc.date.accessioned | 2021-11-26T20:58:07Z | - |
| dc.date.available | 2022-01-11T12:02:45Z | - |
| dc.date.created | 2021-11-26T21:58:06.425+01:00 | - |
| dc.date.issued | 2021-11-26T21:58:06.425+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/34233 | - |
| dc.description | B2PLYP(D3BJ)/def2tzv with SMD (Acetonitrile) | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Ni-Catalyzed Decarboxylative Silylation of Alkynyl Carbonates: Access to Chiral Allenes via Enantiospecific Conversions DOI: 10.1021/acs.orglett.1c04086 Journal: Org. Lett. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-221 | - |
| dc.relation.uri | http://dx.doi.org/10.1021/acs.orglett.1c04086 | * |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2021 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | UV/Vis spectroscopy | - |
| dc.subject | Circular dichroism | - |
| dc.subject | Allenols | - |
| dc.subject | DFT | - |
| dc.subject | Enantioselectivity | - |
| dc.subject | Allenes | - |
| dc.title | /Optimized_Structures Center_of_Cluster_3_(S) | - |
| dc.type | dataset | - |
| dc.date.updated | 2021-11-26T20:58:07Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 16 | en |
| cml.program.other | AM64L-G16RevA.03 | en |
| cml.method | RB2PLYP-FC | en |
| cml.basisset | DEF2TZV | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | Closed | en |
| cml.charge | 0 | en |
| cml.energy.value | -1407.9984693 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C23H30O3Si | en |
| cml.calculationtype | Single point Structure | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Theoretical_Circular_Dichroism - DOI: 10.19061/iochem-bd-1-221 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/34233
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