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dc.contributor.authorFianchini, Mauro-
dc.date.accessioned2019-04-07T17:14:03Z-
dc.date.available2019-04-07T17:14:03Z-
dc.date.created2019-04-07T19:14:01.958+02:00-
dc.date.issued2019-04-07T19:14:01.958+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/19477-
dc.descriptionProduct-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationJournal: Org. Lett.-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-116-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2019-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectCycloaddition-
dc.subjectMicrokinetic model-
dc.subjectDensity functional calculations-
dc.subjectAnnulation-
dc.subjectAsymmetric catalysis-
dc.subjectNHC catalysis-
dc.title/Catalytic_cycle_1 (3R,3aS)-Furanone-
dc.typedataset-
dc.date.updated2019-04-07T17:14:03Z-
cml.program.nameGaussianen
cml.program.version16en
cml.program.otherAM64L-G16RevA.03en
cml.methodRM062Xen
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-1227.12691191en
cml.energy.unitsEhen
cml.formula.genericC16H13ClO2en
cml.calculationtypeGeometry optimization Minimumen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Diastereodivergent_Enantioselective_8+2_Annulation - DOI: 10.19061/iochem-bd-1-116



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/19477

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