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Manuscript title: Statistical learning goes beyond the d-band model providing the thermochemistry of adsorbates on transition metals
Journal: Nat. Commun.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | García Muelas, Rodrigo | - |
| dc.date.accessioned | 2019-02-11T11:25:26Z | - |
| dc.date.available | 2019-11-26T15:20:34Z | - |
| dc.date.created | 2019-02-11T12:25:25.139+01:00 | - |
| dc.date.issued | 2019-02-11T12:25:25.139+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/18075 | - |
| dc.description | Clean metal: Ni | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Statistical learning goes beyond the d-band model providing the thermochemistry of adsorbates on transition metals DOI: 10.1038/s41467-019-12709-1 Journal: Nat. Commun. | * |
| dc.relation.uri | http://dx.doi.org/10.1038/s41467-019-12709-1 | * |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2019 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | Ni-0000 | - |
| dc.type | dataset | - |
| dc.date.updated | 2019-02-11T11:25:26Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.4.4 | en |
| cml.program.other | 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | en |
| cml.method | DFT | en |
| cml.shelltype | Open shell | en |
| cml.energy.value | -250.91869356 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | Ni48 | 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: | Pure_metals | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/18075
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