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Manuscript title: Concerted Chemoselective Hydrogenation of Acrolein on Secondary Phosphine Oxide Decorated Gold Nanoparticles
Journal: ACS Catal.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Almora, Neyvis | - |
| dc.date.accessioned | 2017-01-23T15:10:42Z | - |
| dc.date.available | 2017-06-11T11:08:05Z | - |
| dc.date.created | 2017-01-23T16:10:40.936+01:00 | - |
| dc.date.issued | 2017-01-23T16:10:40.936+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/1788 | - |
| dc.description | Geometries of stationary states of the hydrogenation of acetone autocatalytic pathway | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Concerted Chemoselective Hydrogenation of Acrolein on Secondary Phosphine Oxide Decorated Gold Nanoparticles DOI: 10.1021/acscatal.7b00355 Journal: ACS Catal. | * |
| 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 | Autocatalytic_hydrogenation_of_acetone_on_Au55 | - |
| dc.type | dataset | - |
| dc.date.updated | 2017-01-23T15:10:42Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.3.5 | en |
| cml.program.other | 31Mar14 (build May 07 2014 17:30:20) gamma-only | en |
| cml.shelltype | Closed shell | en |
| cml.energy.value | -222.43813983 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | N/A | en |
| cml.calculationtype | Geometry optimization | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 10 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | AuNP-SPO - DOI: 10.19061/iochem-bd-1-25 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/1788
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