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Referenced by:
Manuscript title: Surface Refaceting Mechanism on Cubic Ceria
Journal: J. Phys. Chem. Lett.
Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Capdevila-Cortada, Marçal | - |
dc.date.accessioned | 2018-11-05T08:48:34Z | - |
dc.date.available | 2020-09-04T10:13:29Z | - |
dc.date.created | 2018-11-05T09:48:32.693+01:00 | - |
dc.date.issued | 2018-11-05T09:48:32.693+01:00 | - |
dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/13846 | - |
dc.description | O-t: Ce3+−Ce3+ next to Vo | - |
dc.publisher | Institute of Chemical Research of Catalonia | - |
dc.relation | Original title: Surface Refaceting Mechanism on Cubic Ceria DOI: 10.1021/acs.jpclett.0c02409 Journal: J. Phys. Chem. Lett. | * |
dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-104 | - |
dc.relation.uri | http://dx.doi.org/10.1021/acs.jpclett.0c02409 | * |
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 | 6 | - |
dc.type | dataset | - |
dc.date.updated | 2018-11-05T08:48:33Z | - |
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.method | DFT | en |
cml.shelltype | Open shell | en |
cml.energy.value | -872.66621823 | en |
cml.energy.units | eV | en |
cml.formula.generic | CCe36O72 | en |
cml.calculationtype | Geometry optimization | en |
cml.hassolvent | false | en |
cml.hasvibrationalfrequencies | false | en |
cml.numberofjobs | 1 | en |
cml.hasmolecularorbitals | false | en |
Appears in Collections: | CO_on_ceria(100) - DOI: 10.19061/iochem-bd-1-104 |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/13846