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dc.contributor.authorSwart, Marcel-
dc.coverage.spatialES Barcelona Barcelona-
dc.date.accessioned2017-06-09T10:00:38Z-
dc.date.available2017-06-09T10:00:38Z-
dc.date.created2017-06-09T12:00:36.815+02:00-
dc.date.issued2017-06-09T12:00:36.815+02:00-
dc.identifier.urihttps://iochem-bd.bsc.es/browse/handle/100/47646-
dc.descriptionFe4-
dc.publisherBarcelona Supercomputing Center-
dc.rightsCC BY 4.0 (c) Barcelona Supercomputing Center, 2017-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title/Atoms Fe4-
dc.typedataset-
dc.date.updated2017-06-09T10:00:38Z-
cml.program.nameADFen
cml.program.versionen
cml.methodDFTen
cml.basissetTZ2Pen
cml.multiplicity5en
cml.spintypeUNrestricteden
cml.charge0en
cml.formula.genericFe 1en
cml.calculationtypeSingle pointen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
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