ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Referenced by:
Manuscript title: Elucidating the Mechanism of Aryl Aminations Mediated by NHC-Supported Nickel Complexes: Evidence for a Non-radical Ni(0)/Ni(II) Pathway
Journal: ACS Catal.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Funes-Ardoiz, Ignacio | - |
| dc.date.accessioned | 2018-03-08T12:17:49Z | - |
| dc.date.available | 2018-03-08T12:17:49Z | - |
| dc.date.created | 2018-03-08T13:17:48.177+01:00 | - |
| dc.date.issued | 2018-03-08T13:17:48.177+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/9006 | - |
| dc.description | c3 | - |
| dc.publisher | Universitat Autònoma de Barcelona | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.publisher | Centro de Investigación en Química Sostenible and Departamento de Química, Universidad de Huelva | - |
| dc.publisher | Universidad de Sevilla | - |
| dc.relation | Original title: Elucidating the Mechanism of Aryl Aminations Mediated by NHC-Supported Nickel Complexes: Evidence for a Non-radical Ni(0)/Ni(II) Pathway DOI: 10.1021/acscatal.8b00856 Journal: ACS Catal. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-68 | - |
| dc.relation.uri | http://dx.doi.org/10.1021/acscatal.8b00856 | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2018 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | c3 | - |
| dc.type | dataset | - |
| dc.date.updated | 2018-03-08T12:17:49Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | EM64L-G09RevD.01 | en |
| cml.method | ONIOM | en |
| cml.method | wB97XD | en |
| cml.method | UFF | en |
| cml.basisset | 6-311+G** | en |
| cml.multiplicity | 1 | en |
| cml.multiplicity | 1 | en |
| cml.multiplicity | 1 | en |
| cml.spintype | en | |
| cml.shelltype | Closed | en |
| cml.charge | 0 | en |
| cml.charge | 0 | en |
| cml.charge | 0 | en |
| cml.energy.value | -1875.07453551 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C40H48ClN3Ni | 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: | Elucidating the Mechanism of Aryl Aminations Mediated by NHC- Supported Nickel Complexes: Evidence for a Non-radical Ni(0)/Ni(II) Pathway - DOI: 10.19061/iochem-bd-1-68 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/9006
Item files in Browse 
HTML5 resume (see conditions inside)