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DC Field | Value | Language |
---|---|---|
dc.contributor.author | Korkus Hamal, Ester | - |
dc.coverage.spatial | ES Barcelona | - |
dc.date.accessioned | 2020-02-13T12:19:10Z | - |
dc.date.available | 2020-02-13T12:19:10Z | - |
dc.date.created | 2020-02-13T13:19:03.003+01:00 | - |
dc.date.issued | 2020-02-13T13:19:03.003+01:00 | - |
dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/194162 | - |
dc.description | A7 | - |
dc.publisher | Barcelona Supercomputing Center | - |
dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-33 | - |
dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2020 | - |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
dc.title | /7/A7 A7 | - |
dc.type | dataset | - |
dc.date.updated | 2020-02-13T12:19:10Z | - |
cml.program.name | vasp | en |
cml.program.version | 5.3.3 | en |
cml.program.other | 18Dez12 (build Sep 16 2013 14:52:01) complex | en |
cml.method | DFT | en |
cml.shelltype | Open shell | en |
cml.energy.value | -283.46004002 | en |
cml.energy.units | eV | en |
cml.formula.generic | H14Co4Fe4Ni4O26 | 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: | NiOOH - DOI: 10.19061/iochem-bd-6-33 |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/194162