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dc.contributor.authorNieto Faza, Olalla-
dc.coverage.spatialES Barcelona-
dc.date.accessioned2024-06-15T02:33:54Z-
dc.date.available2024-06-15T02:33:54Z-
dc.date.created2024-06-15T04:33:51.818786+02:00-
dc.date.issued2024-06-15T04:33:51.818786+02:00-
dc.identifier.urihttps://iochem-bd.bsc.es/browse/handle/100/321940-
dc.descriptiontddft-
dc.publisherUniversidade de Vigo-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-6-372-
dc.rightsCC BY 4.0 (c) Barcelona Supercomputing Center, 2024-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectDyes/Pigments-
dc.titlecyanidin-tddft-
dc.typedataset-
dc.date.updated2024-06-15T02:33:54Z-
cml.program.nameGaussianen
cml.program.version16en
cml.program.otherES64L-G16RevA.03en
cml.methodRCAM-B3LYPen
cml.methodTD-FCen
cml.basissetDEF2TZVPPen
cml.multiplicity1en
cml.spintypeRestricteden
cml.charge1en
cml.energy.value-1029.3476404en
cml.energy.unitsEhen
cml.formula.genericC15H11O6en
cml.calculationtypeSingle point Structureen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:TFG-AlbaMiguelCrespo-Dyes - DOI: 10.19061/iochem-bd-6-372



Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/321940

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