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Manuscript title: Steric effects determine the mechanisms of reactions between bis(N-heterocyclic carbene)-nickel(0) complexes and aryl halides
Journal: Chem. Commun.
DOI: 10.1039/C8CC06379F
Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Maseras, Feliu | - |
dc.date.accessioned | 2018-08-30T11:06:43Z | - |
dc.date.available | 2018-08-30T11:06:43Z | - |
dc.date.created | 2018-08-30T13:06:38.025+02:00 | - |
dc.date.issued | 2018-08-30T13:06:38.025+02:00 | - |
dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/13132 | - |
dc.description | small_basis/D-3-Cl/tet-NiClPhIPhen2 | - |
dc.publisher | Institute of Chemical Research of Catalonia | - |
dc.relation | Original title: Steric effects determine the mechanisms of reactions between bis(N-heterocyclic carbene)-nickel(0) complexes and aryl halides DOI: 10.1039/C8CC06379F Journal: Chem. Commun. | * |
dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-96 | - |
dc.relation.uri | http://dx.doi.org/10.1039/C8CC06379F | - |
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 | small_basis_D-3-Cl_tet-NiClPhIPhen2 | - |
dc.type | dataset | - |
dc.date.updated | 2018-08-30T11:06:43Z | - |
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* | en |
cml.multiplicity | 1 | en |
cml.spintype | Restricted | en |
cml.shelltype | Closed | en |
cml.charge | 0 | en |
cml.energy.value | -2237.96829722 | en |
cml.energy.units | Eh | en |
cml.formula.generic | C36H29ClN4Ni | 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: | Steric effects determine the mechanisms of reactions between bis(N-heterocyclic carbene)-nickel(0) complexes and aryl halides - DOI: 10.19061/iochem-bd-1-96 |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/13132