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Manuscript title: The Interplay between Homogeneous and Heterogeneous Phases of PdAu Catalysts for the Oxidation of Alcohols
Journal: ACS Catal.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Jover Modrego, Jesús | - |
| dc.date.accessioned | 2016-05-09T14:37:34Z | - |
| dc.date.available | 2016-05-09T14:37:34Z | - |
| dc.date.created | 2016-05-09T16:37:33.043+02:00 | - |
| dc.date.issued | 2016-05-09T16:37:33.043+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/591 | - |
| dc.description | PdII_Cl_2OH_ROH, complex VIII | - |
| dc.relation | Original title: The Interplay between Homogeneous and Heterogeneous Phases of PdAu Catalysts for the Oxidation of Alcohols DOI: 10.1021/acscatal.6b00832 Journal: ACS Catal. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-6 | - |
| dc.rights | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | PdII_Cl_2OH_ROH | - |
| dc.date.updated | 2016-05-09T14:37:34Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | EM64L-G09RevA.02 | en |
| cml.method | RPBEPBE | en |
| cml.basisset | 6-31+G* | en |
| cml.basisset | SDD | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | Closed | en |
| cml.charge | -1 | en |
| cml.energy.value | -971.784100730 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C4H10ClO3Pd | 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: | The interplay between homogeneous and heterogeneous phases of PdAu catalysts for the oxidation of alcohols - DOI: 10.19061/iochem-bd-1-6 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/591
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