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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Daelman, Nathan | - |
| dc.date.accessioned | 2018-07-23T17:24:25Z | - |
| dc.date.available | 2019-08-06T08:40:38Z | - |
| dc.date.created | 2018-07-23T19:24:23.101+02:00 | - |
| dc.date.issued | 2018-07-23T19:24:23.101+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/10872 | - |
| dc.description | Start of the MD with heating Pt2O from 0K to 300K | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| 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 | /Molecular_Dynamics Pt2O_MD | - |
| dc.type | dataset | - |
| dc.date.updated | 2018-07-23T17:24:24Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.3.5 | en |
| cml.program.other | 31Mar14 (build May 15 2015 09:43:55) complex | en |
| cml.method | DFT | en |
| cml.shelltype | Open shell | en |
| cml.energy.value | -384.08253511 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | Ce16O32Pt | en |
| cml.calculationtype | Ab-Initio Molecular Dynamics | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | SA_Pt/CeO2 - DOI: 10.19061/iochem-bd-1-78 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/10872
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