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Manuscript title: Class-II-aldolase-mimicking polyfunctional Lewis acid/azolium–aryloxide catalysts in direct enantioselective nitro-aldol additions
Journal: Org. Chem. Front.
DOI: 10.1039/D5QO01558H
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Schmoltzi, Lisa | |
| dc.contributor.author | Kästner, Johannes | |
| dc.date.accessioned | 2026-03-05T15:38:07Z | - |
| dc.date.available | 2026-03-05T15:37:36.456794Z | |
| dc.date.available | 2026-03-05T15:38:07Z | - |
| dc.date.created | 2026-03-05T15:37:36.456794Z | |
| dc.date.issued | 2026-03-05T15:37:36.456794Z | |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/488917 | - |
| dc.description.abstract | Chemshell-Turbomole-Optimization | |
| dc.description.sponsorship | University of Stuttgart | |
| dc.description.sponsorship | Barcelona Supercomputing Center | |
| dc.publisher | Barcelona Supercomputing Center | |
| dc.relation | Original title: Class-II-aldolase-mimicking polyfunctional Lewis acid/azolium–aryloxide catalysts in direct enantioselective nitro-aldol additions DOI: 10.1039/D5QO01558H Journal: Org. Chem. Front. | |
| dc.relation.ispartof | Org. Chem. Front. | |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-638 | - |
| dc.relation.uri | http://dx.doi.org/10.1039/D5QO01558H | |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2026 | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.title | IVs_opt | |
| dc.type | dataset | |
| cml.program.name | TURBOMOLE | |
| cml.program.version | 7.7.1 | |
| cml.method | U-DFT | |
| cml.basisset | def2-mSVP | |
| cml.multiplicity | 1 | |
| cml.charge | -0.000000 | |
| cml.energy.value | -5360.425422268 | |
| cml.energy.units | Eh | |
| cml.formula.generic | C63H55CoF3N6O7S | |
| cml.calculationtype | Single point Minimum | |
| cml.hassolvent | false | |
| cml.hasvibrationalfrequencies | false | |
| cml.numberofjobs | 1 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | polyfunctional_catalyst_for_nitro_aldol - DOI: 10.19061/iochem-bd-6-638 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/488917
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