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DC FieldValueLanguage
cml.program.namevaspen
cml.program.version5.3.5en
cml.program.other31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyen
cml.methodPBEen
cml.shelltypeOpen shellen
cml.energy.value-4835.83292497en
cml.energy.unitseVen
cml.formula.genericC290H106Cl24NO190Ru48en
cml.calculationtypeFrequenciesen
cml.hassolventfalseen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
dc.contributor.authorOrtuño, Manuel-
dc.contributor.otherInstitute of Chemical Research of Cataloniaen
dc.date.accessioned2018-06-27T10:59:33Z-
dc.date.accessioned2019-05-04T12:08:46Z-
dc.date.available2019-04-23T08:00:32Z-
dc.date.available2019-05-04T12:08:46Z-
dc.date.created2018-06-27T12:59:32.036+02:00-
dc.date.issued2018-06-27T12:59:32.036+02:00-
dc.identifier.urihttps://www.iochem-bd.org//handle/10/7082-
dc.descriptionButene on ligand-based defective node (low spin)-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-83-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2018-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titledefect-L-butene_(ls-L-9)-
dc.typedataset-
dc.date.updated2018-06-27T10:59:33Z-
Appears in Collections:Selective_Ethylene_Dimerization_via_Defective_Ru-MOF_nodes

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