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dc.contributor.authorSciortino, Giuseppe-
dc.date.accessioned2023-12-25T22:49:55Z-
dc.date.available2023-12-25T22:49:55Z-
dc.date.created2023-12-25T23:49:53.963+01:00-
dc.date.issued2023-12-25T23:49:53.963+01:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/65953-
dc.description23-MECP_Az_4Ph_singlet-freq-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-298-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2023-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title23-MECP_Az_4Ph_singlet-freq-
dc.typedataset-
dc.date.updated2023-12-25T22:49:55Z-
cml.program.nameGaussianen
cml.program.version16en
cml.program.otherAM64L-G16RevA.03en
cml.methodRB3LYPen
cml.basissetLANL2DZ 6-31G(D,P) GENECPen
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-2271.90631703en
cml.energy.unitsEhen
cml.formula.genericC26H16BBr9CuN7O2Sen
cml.calculationtypeSingle point Structureen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:TpBr3Cu_NTs_enyenes - DOI: 10.19061/iochem-bd-1-298



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