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DC FieldValueLanguage
cml.program.nameGaussianen
cml.program.version16en
cml.program.otherAM64L-G16RevA.03en
cml.methodRM062Xen
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-2278.25584049en
cml.energy.unitsEhen
cml.formula.genericC37H34ClN3O3en
cml.calculationtypeGeometry optimization TSen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
cml.formula.smilesCC1CC(C)C(C(C)C1)N1NC2COC3CC4CCCCC4C3N2C1C(O)CCC1CCCCC1.OC1CCCCCC1Clen
cml.formula.smilesCC1CC(C)C(C(C)C1)N1NC2COC3CC4CCCCC4C3N2C1C(O)CCC1CCCCC1.OC1CCCCCC1Clen
dc.contributor.authorFianchini, Mauro-
dc.contributor.otherInstitute of Chemical Research of Cataloniaen
dc.date.accessioned2019-04-07T17:16:09Z-
dc.date.accessioned2019-05-04T12:56:48Z-
dc.date.available2019-04-07T17:16:09Z-
dc.date.available2019-05-04T12:56:48Z-
dc.date.created2019-04-07T19:16:05.013+02:00-
dc.date.issued2019-04-07T19:16:05.013+02:00-
dc.identifier.urihttps://www.iochem-bd.org//handle/10/8302-
dc.descriptionCycloaddition TS-
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 T4Syn_Si_Up_Cis_1-
dc.typedataset-
dc.date.updated2019-04-07T17:16:09Z-
Appears in Collections:Diastereodivergent_Enantioselective_8+2_Annulation

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