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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 | 2017-01-23T15:10:48Z | - |
| dc.date.available | 2017-06-11T11:08:05Z | - |
| dc.date.created | 2017-01-23T16:10:47.502+01:00 | - |
| dc.date.issued | 2017-01-23T16:10:47.502+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/1791 | - |
| dc.description | Optimized initial, transition, and final states of the H2 dissociation pathway on | - |
| 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 | H2_dissociation_on_Au55 | - |
| dc.type | dataset | - |
| dc.date.updated | 2017-01-23T15:10:48Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.3.3 | en |
| cml.program.other | 18Dez12 (build Apr 2 2013 15:16:02) gamma-only | en |
| cml.shelltype | Closed shell | en |
| cml.energy.value | -168.43885835 | 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 | 4 | 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/100/1791
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