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Referenced by:
Manuscript title: Copper-Mediated Reduction of Azides under Seemingly Oxidising Conditions: Catalytic and Computational Studies
Journal: Catal. Sci. Technol.
Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Besora, Maria | - |
dc.date.accessioned | 2018-08-30T15:08:59Z | - |
dc.date.available | 2018-08-30T15:08:59Z | - |
dc.date.created | 2018-08-30T17:08:57.998+02:00 | - |
dc.date.issued | 2018-08-30T17:08:57.998+02:00 | - |
dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/13311 | - |
dc.description | VI3 | - |
dc.publisher | Institute of Chemical Research of Catalonia | - |
dc.relation | Original title: Copper-Mediated Reduction of Azides under Seemingly Oxidising Conditions: Catalytic and Computational Studies Journal: Catal. Sci. Technol. | * |
dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-97 | - |
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 | VI3 | - |
dc.type | dataset | - |
dc.date.updated | 2018-08-30T15:08:59Z | - |
cml.program.name | Gaussian | en |
cml.program.version | 09 | en |
cml.program.other | EM64L-G09RevD.01 | en |
cml.method | UBP86 | en |
cml.basisset | 6-31g(d) | en |
cml.basisset | sdd | en |
cml.multiplicity | 3 | en |
cml.spintype | Unrestricted | en |
cml.shelltype | open | en |
cml.charge | 1 | en |
cml.energy.value | -1190.97000581 | en |
cml.energy.units | Eh | en |
cml.formula.generic | C16H24CuN4O2 | 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: | Copper-Mediated Reduction of Azides under Seemingly Oxidising Conditions: Catalytic and Computational Studies - DOI: 10.19061/iochem-bd-1-97 |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/13311