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dc.contributor.authorOrtuño, Manuel-
dc.date.accessioned2020-04-02T07:38:27Z-
dc.date.available2021-02-15T08:04:58Z-
dc.date.created2020-04-02T09:38:25.959+02:00-
dc.date.issued2020-04-02T09:38:25.959+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/23741-
dc.descriptionIntermediate Cu(II)-N2O2 (via O)-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-160-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2020-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titleC-4_triplet_(Cu-N2O2)-
dc.typedataset-
dc.date.updated2020-04-02T07:38:27Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodUB3LYPen
cml.basissetSDD 6-31G** 6-31+G* GENen
cml.multiplicity3en
cml.spintypeUnrestricteden
cml.shelltypeopenen
cml.charge0en
cml.energy.value-2398.98253982en
cml.energy.unitsEhen
cml.formula.genericC19H22BCuF4N8O8en
cml.calculationtypeSingle point Structureen
cml.hassolventfalseen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Cu-ZrTpmC_NO_disprop - DOI: 10.19061/iochem-bd-1-160



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/23741

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