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Referenced by:
Manuscript title: Rational selection of co-catalysts for the deaminative hydrogenation of amides
Journal: Chem. Sci.
DOI: 10.1039/c9sc03812d
Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Artus Suarez, Lluis | - |
dc.coverage.spatial | ES Barcelona | - |
dc.date.accessioned | 2019-05-10T14:23:06Z | - |
dc.date.available | 2020-01-27T10:49:25Z | - |
dc.date.created | 2019-05-10T16:23:02.141+02:00 | - |
dc.date.issued | 2019-05-10T16:23:02.141+02:00 | - |
dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/193642 | - |
dc.publisher | Universitetet i Oslo | - |
dc.relation | Original title: Rational selection of co-catalysts for the deaminative hydrogenation of amides DOI: 10.1039/c9sc03812d Journal: Chem. Sci. | * |
dc.relation.uri | http://dx.doi.org/10.1039/c9sc03812d | * |
dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2019 | - |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
dc.title | Adduct_Morpholine | - |
dc.type | dataset | - |
dc.date.updated | 2019-05-10T14:23:06Z | - |
cml.program.name | Gaussian | en |
cml.program.version | 09 | en |
cml.program.other | ES64L-G09RevD.01 | en |
cml.method | RM06 | en |
cml.basisset | 6-31+G** | en |
cml.multiplicity | 1 | en |
cml.spintype | Restricted | en |
cml.shelltype | Closed | en |
cml.charge | 0 | en |
cml.energy.value | -1893.29522220 | en |
cml.energy.units | Eh | en |
cml.formula.generic | C21H46FeN2O2P2 | 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: | Rational_Design_of_Co_Catalysts_for_the_Deaminative_Hydrogenat - DOI: 10.19061/iochem-bd-6-14 |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/193642