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dc.contributor.authorFondevila, Adiran J. De Aguirre-
dc.date.accessioned2020-08-09T15:33:39Z-
dc.date.available2020-08-09T15:33:39Z-
dc.date.created2020-08-09T17:33:37.55+02:00-
dc.date.issued2020-08-09T17:33:37.55+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/26980-
dc.descriptiondouble-s2-opt-freq-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-180-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2020-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titledouble-s2-opt-freq-
dc.typedataset-
dc.date.updated2020-08-09T15:33:39Z-
cml.program.nameGaussianen
cml.program.version16en
cml.program.otherAM64L-G16RevA.03en
cml.methodONIOMen
cml.methodgaussian--mmen
cml.methodUFFen
cml.basissetDUMMY MIXEDen
cml.multiplicity1en
cml.multiplicity1en
cml.multiplicity1en
cml.spintypeen
cml.charge0en
cml.charge0en
cml.charge0en
cml.formula.genericC4332H312en
cml.calculationtypeSingle point Minimumen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Ru-polymer-surface



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