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DC FieldValueLanguage
dc.contributor.authorBlancafort, Lluís-
dc.coverage.spatialES Girona-
dc.date.accessioned2021-09-23T15:32:09Z-
dc.date.available2021-09-23T15:32:09Z-
dc.date.created2021-09-23T17:32:08.437+02:00-
dc.date.issued2021-09-23T17:32:08.437+02:00-
dc.identifier.urihttps://iochem.udg.edu:8443/browse/handle/100/1778-
dc.descriptiondhi_dimers-
dc.publisherUdG-
dc.rightsCC BY 4.0 (c) UdG, 2021-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titledhi_dimers-
dc.typedataset-
dc.date.updated2021-09-23T15:32:09Z-
cml.program.nameGaussianen
cml.program.version16en
cml.program.otherES64L-G16RevA.03en
cml.methodRCAM-B3LYPen
cml.methodTD-FCen
cml.basisset6-311G(D,P)en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.energy.value-1027.1509686en
cml.energy.unitsEhen
cml.formula.genericC16H12N2O4en
cml.calculationtypeSingle point Structureen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
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