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dc.contributor.authorRuiz, Andrea-
dc.date.accessioned2020-01-31T14:34:21Z-
dc.date.available2021-05-04T14:26:48Z-
dc.date.created2020-01-31T15:34:19.63+01:00-
dc.date.issued2020-01-31T15:34:19.63+01:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/22803-
dc.descriptionFeFe-si-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2020-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titleFeFe-si-
dc.typedataset-
dc.date.updated2020-01-31T14:34:20Z-
cml.program.namevaspen
cml.program.version5.4.4en
cml.program.other18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexen
cml.methodDFTen
cml.shelltypeOpen shellen
cml.energy.value-1914.57461335en
cml.energy.unitseVen
cml.formula.genericC96Fe2N128en
cml.calculationtypeGeometry optimizationen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:N-arylation_Fe_Cu-GCN - DOI: 10.19061/iochem-bd-1-151



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/22803

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