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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Shahrokhi, Masoud | - |
| dc.date.accessioned | 2017-12-01T10:58:47Z | - |
| dc.date.available | 2018-07-06T09:22:15Z | - |
| dc.date.created | 2017-12-01T11:58:46.108+01:00 | - |
| dc.date.issued | 2017-12-01T11:58:46.108+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/7814 | - |
| dc.description | 2H on Pd(111) | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-57 | - |
| 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 | 2H-Pd(111) | - |
| dc.type | dataset | - |
| dc.date.updated | 2017-12-01T10:58:47Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.3.5 | en |
| cml.program.other | 31Mar14 (build Apr 25 2014 16:28:52) complex | en |
| cml.shelltype | Closed shell | en |
| cml.energy.value | -151.03168724 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | H2Pd30 | 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: | palladium_sulfide_nanoparticles_for_alkyne_semi-hydrogenation - DOI: 10.19061/iochem-bd-1-57 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/7814
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