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Referenced by:
Manuscript title: Halide Abstraction Competes with Oxidative Addition in the Reactions of Aryl Halides with [Ni(PMenPh(3-n))4]
Journal: Chem. Eur. J.
Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Funes-Ardoiz, Ignacio | - |
dc.date.accessioned | 2017-10-26T13:33:06Z | - |
dc.date.available | 2017-10-26T13:33:06Z | - |
dc.date.created | 2017-10-26T15:33:05.331+02:00 | - |
dc.date.issued | 2017-10-26T15:33:05.331+02:00 | - |
dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/6246 | - |
dc.description | TS_H_abstraction_Hexane | - |
dc.publisher | University of Strathclyde | - |
dc.publisher | Institute of Chemical Research of Catalonia | - |
dc.relation | Original title: Halide Abstraction Competes with Oxidative Addition in the Reactions of Aryl Halides with [Ni(PMe<sub>n</sub>Ph<sub>(3-n)</sub>)<sub>4</sub>] DOI: 10.1002/chem.201702331 Journal: Chem. Eur. J. | * |
dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-55 | - |
dc.relation.uri | http://dx.doi.org/10.1002/chem.201702331 | - |
dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2017 | - |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
dc.title | /N_hexane TS_H_abstraction_Hexane | - |
dc.type | dataset | - |
dc.date.updated | 2017-10-26T13:33:06Z | - |
cml.program.name | Gaussian | en |
cml.program.version | 09 | en |
cml.program.other | EM64L-G09RevD.01 | en |
cml.method | UB3LYP | en |
cml.basisset | 6-311+G** | en |
cml.multiplicity | 2 | en |
cml.spintype | Unrestricted | en |
cml.shelltype | open | en |
cml.charge | 0 | en |
cml.energy.value | -468.799635792 | en |
cml.energy.units | Eh | en |
cml.formula.generic | C12H19 | 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: | Halide Abstraction Competes with Oxidative Addition in the Reactions of Aryl Halides with [Ni(PMenPh(3-n))4] - DOI: 10.19061/iochem-bd-1-55 |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/6246