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Manuscript title: The non-innocent role of the halide ligand in the copper-catalyzed olefin aziridination reaction
Journal: ACS Catal.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Lopez Resano, Sara | - |
| dc.date.accessioned | 2022-09-16T13:48:21Z | - |
| dc.date.available | 2022-12-12T14:22:46Z | - |
| dc.date.created | 2022-09-16T15:48:16.588+02:00 | - |
| dc.date.issued | 2022-09-16T15:48:16.588+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/42540 | - |
| dc.description | Cl | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: The non-innocent role of the halide ligand in the copper-catalyzed olefin aziridination reaction Journal: ACS Catal. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-255 | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2022 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /Cl_system i3-Cl | - |
| dc.type | dataset | - |
| dc.date.updated | 2022-09-16T13:48:21Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | EM64L-G09RevD.01 | en |
| cml.method | RB3LYP | en |
| cml.basisset | LANL2DZ 6-31G* GENECP | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | Closed | en |
| cml.charge | 0 | en |
| cml.energy.value | -3463.07891043 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C42H39ClCuIN10O3S | 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: | The non-innocent role of the halide ligand in the copper-catalyzed olefin aziridination reaction - DOI: 10.19061/iochem-bd-1-255 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/42540
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