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Manuscript title: DFT characterization of the mechanism for Staudinger/Aza-Wittig tandem organocatalysis

Journal: Tetrahedron

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DC FieldValueLanguage
dc.contributor.authorFianchini, Mauro-
dc.date.accessioned2019-01-28T15:14:33Z-
dc.date.available2019-01-28T15:14:33Z-
dc.date.created2019-01-28T16:14:31.584+01:00-
dc.date.issued2019-01-28T16:14:31.584+01:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/17864-
dc.descriptionMolecular dinitrogen-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: DFT characterization of the mechanism for Staudinger/Aza-Wittig tandem organocatalysis Journal: Tetrahedron*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-109-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2019-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titleN2-
dc.typedataset-
dc.date.updated2019-01-28T15:14:33Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodRM062Xen
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-109.530491920en
cml.energy.unitsEhen
cml.formula.genericN2en
cml.calculationtypeGeometry optimization Minimumen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:DFT characterization of the mechanism for Staudinger/Aza-Wittig tandem organocatalysis - DOI: 10.19061/iochem-bd-1-109



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