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Referenced by:
Manuscript title: Intermolecular Allene Functionalization by Silver-Nitrene Catalysis
Journal: J. Am. Chem. Soc.
DOI: 10.1021/jacs.0c04395
Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Besora, Maria | - |
dc.date.accessioned | 2020-07-07T20:04:07Z | - |
dc.date.available | 2020-07-07T20:04:07Z | - |
dc.date.created | 2020-07-07T22:04:05.754+02:00 | - |
dc.date.issued | 2020-07-07T22:04:05.754+02:00 | - |
dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/26106 | - |
dc.description | P3 | - |
dc.publisher | Institute of Chemical Research of Catalonia | - |
dc.relation | Original title: Intermolecular Allene Functionalization by Silver-Nitrene Catalysis DOI: 10.1021/jacs.0c04395 Journal: J. Am. Chem. Soc. | * |
dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-176 | - |
dc.relation.uri | http://dx.doi.org/10.1021/jacs.0c04395 | * |
dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2020 | - |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
dc.title | P3 | - |
dc.type | dataset | - |
dc.date.updated | 2020-07-07T20:04:07Z | - |
cml.program.name | Gaussian | en |
cml.program.version | 09 | en |
cml.program.other | EM64L-G09RevD.01 | en |
cml.method | RB3LYP | en |
cml.basisset | 6-31G* GENECP | en |
cml.multiplicity | 1 | en |
cml.spintype | Restricted | en |
cml.shelltype | Closed | en |
cml.charge | 0 | en |
cml.energy.value | -1222.04855705 | en |
cml.energy.units | Eh | en |
cml.formula.generic | C16H15NO2S | en |
cml.calculationtype | Geometry optimization Minimum | en |
cml.hassolvent | true | en |
cml.hasvibrationalfrequencies | true | en |
cml.numberofjobs | 2 | en |
cml.hasmolecularorbitals | false | en |
Appears in Collections: | Allene Functionalization - DOI: 10.19061/iochem-bd-1-176 |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/26106