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dc.contributor.authorIglesias-Reguant, Alex-
dc.coverage.spatialES Girona-
dc.date.accessioned2022-04-23T13:52:46Z-
dc.date.available2022-04-23T13:52:46Z-
dc.date.created2022-04-23T15:52:44.611+02:00-
dc.date.issued2022-04-23T15:52:44.611+02:00-
dc.identifier.urihttps://iochem.udg.edu:8443/browse/handle/100/3655-
dc.descriptionground state structure-
dc.publisherUniversitat de Girona-
dc.publisherNicolaus Copernicus University-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-4-39-
dc.rightsCC BY 4.0 (c) UdG, 2022-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titleC6F5Cl_D-
dc.typedataset-
dc.date.updated2022-04-23T13:52:46Z-
cml.program.nameGaussianen
cml.program.version16en
cml.program.otherEM64L-G16RevC.01en
cml.basissetAUG-CC-PVDZ GENen
cml.multiplicity1en
cml.spintypeen
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-2507.49116240en
cml.energy.unitsEhen
cml.formula.genericC26H17BClF6N5O2en
cml.calculationtypeSingle point Minimumen
cml.hassolventfalseen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:XB_dye-perfluorohaloarene_Gas - DOI: 10.19061/iochem-bd-4-39



Please use this identifier to cite or link to this item: https://iochem.udg.edu/browse/handle/100/3655

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