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Manuscript title: Mechanistic study on the asymmetric synthesis of the Wieland-Miescher ketone and analogs
Journal: ChemCatChem
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Besora, Maria | - |
| dc.date.accessioned | 2019-05-02T14:30:33Z | - |
| dc.date.available | 2019-05-02T14:30:33Z | - |
| dc.date.created | 2019-05-02T16:30:32.256+02:00 | - |
| dc.date.issued | 2019-05-02T16:30:32.256+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/19959 | - |
| dc.description | INT3noa | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Mechanistic study on the asymmetric synthesis of the Wieland-Miescher ketone and analogs DOI: 10.1002/cctc.201900543R1 Journal: ChemCatChem | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-121 | - |
| dc.relation.uri | http://dx.doi.org/10.1002/cctc.201900543R1 | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2019 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | INT3noa | - |
| dc.type | dataset | - |
| dc.date.updated | 2019-05-02T14:30:33Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | EM64L-G09RevA.02 | en |
| cml.method | RB3LYP | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | Closed | en |
| cml.charge | 0 | en |
| cml.energy.value | -2756.80792841 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C45H47N3O6S | en |
| cml.calculationtype | Geometry optimization Minimum | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | true | en |
| cml.numberofjobs | 2 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Mechanistic study on the asymmetric synthesis of the Wieland-Miescher ketone and analogs - DOI: 10.19061/iochem-bd-1-121 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/19959
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