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dc.contributor.authorOrtuño, Manuel-
dc.date.accessioned2018-06-27T10:59:45Z-
dc.date.available2019-04-23T08:00:30Z-
dc.date.created2018-06-27T12:59:43.671+02:00-
dc.date.issued2018-06-27T12:59:43.671+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/9812-
dc.descriptionCluster model of pristine node (sextet) at M06-L level-
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.titlecluster-M06-L-6-
dc.typedataset-
dc.date.updated2018-06-27T10:59:45Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodUM06Len
cml.basissetSDDen
cml.basisset6-31G**en
cml.basisset6-31+G*en
cml.multiplicity6en
cml.spintypeUnrestricteden
cml.shelltypeopenen
cml.charge0en
cml.energy.value-3839.58221330en
cml.energy.unitsEhen
cml.formula.genericC36H20ClO24Ru2en
cml.calculationtypeGeometry optimization Minimumen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Selective_Ethylene_Dimerization_via_Defective_Ru-MOF_nodes - DOI: 10.19061/iochem-bd-1-83



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