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dc.contributor.authorArtigas, Albert-
dc.date.accessioned2024-07-30T10:55:45Z-
dc.date.available2024-10-08T09:36:06Z-
dc.date.created2024-07-30T12:55:43.634662+02:00-
dc.date.issued2024-07-30T12:55:43.634662+02:00-
dc.identifier.urihttps://iochem.udg.edu/browse/handle/100/6268-
dc.description01_XI_aq_spe-
dc.publisherUdG-
dc.rightsCC BY 4.0 (c) UdG, 2024-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title01_XI_aq_spe-
dc.typedataset-
dc.date.updated2024-07-30T10:55:45Z-
cml.program.nameGaussianen
cml.program.version16en
cml.program.otherES64L-G16RevA.03en
cml.methodRM06Len
cml.basissetCC-PVTZ GENen
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge1en
cml.energy.value-3595.4360769en
cml.energy.unitsEhen
cml.formula.genericC51H49NO5P2RhSen
cml.calculationtypeSingle point Structureen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
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