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dc.contributor.authorJover Modrego, Jesús-
dc.date.accessioned2020-07-21T11:12:03Z-
dc.date.available2020-07-21T11:12:03Z-
dc.date.created2020-07-21T13:12:01.758+02:00-
dc.date.issued2020-07-21T13:12:01.758+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/26171-
dc.descriptionI-R-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-177-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2020-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titleI-R-
dc.typedataset-
dc.date.updated2020-07-21T11:12:03Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodUB3LYPen
cml.basissetDEF2SVPen
cml.multiplicity4en
cml.spintypeUnrestricteden
cml.shelltypeopenen
cml.charge0en
cml.energy.value-10384.6447492en
cml.energy.unitsEhen
cml.formula.genericC65H68Cu3N36O13en
cml.calculationtypeGeometry optimization Minimumen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:TAMOF_epoxide_ring_opening



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