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dc.contributor.authorJover Modrego, Jesús-
dc.date.accessioned2021-10-01T07:48:11Z-
dc.date.available2021-10-01T07:48:11Z-
dc.date.created2021-10-01T09:48:08.035+02:00-
dc.date.issued2021-10-01T09:48:08.035+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/33626-
dc.descriptionCu_F_9BBN_tfmvs_m-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-216-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2021-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titleCu_F_9BBN_tfmvs_m-
dc.typedataset-
dc.date.updated2021-10-01T07:48:11Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherES64L-G09RevD.01en
cml.methodRB3LYPen
cml.basissetTZVPen
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-4054.06462884en
cml.energy.unitsEhen
cml.formula.genericC38H54BCuF4N2Sen
cml.calculationtypeGeometry optimization Minimumen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
Appears in Collections:RF_COOH - DOI: 10.19061/iochem-bd-1-216



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