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dc.contributor.authorLaconsay, Croix-
dc.coverage.spatialES Barcelona Barcelona-
dc.date.accessioned2022-06-01T18:52:24Z-
dc.date.available2022-06-01T18:52:24Z-
dc.date.created2022-06-01T20:52:21.921+02:00-
dc.date.issued2022-06-01T20:52:21.921+02:00-
dc.identifier.urihttps://iochem-bd.bsc.es/browse/handle/100/216093-
dc.descriptionK_acc_c7_me-
dc.publisherBarcelona Supercomputing Center-
dc.rightsCC BY 4.0 (c) Barcelona Supercomputing Center, 2022-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titleK_acc_c7_me-
dc.typedataset-
dc.date.updated2022-06-01T18:52:24Z-
cml.program.nameGaussianen
cml.program.version16en
cml.program.otherES64L-G16RevA.03en
cml.basissetDEF2SVPen
cml.multiplicity1en
cml.spintypeen
cml.charge0en
cml.energy.value-1637.55241095en
cml.energy.unitsEhen
cml.formula.genericC19H24O9Rh2en
cml.calculationtypeGeometry optimization Minimumen
cml.hassolventfalseen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Semibullvalene_from_cycloheptatrienes



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