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Manuscript title: Copper-Mediated Reduction of Azides under Seemingly Oxidising Conditions: Catalytic and Computational Studies

Journal: Catal. Sci. Technol.

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DC FieldValueLanguage
dc.contributor.authorBesora, Maria-
dc.date.accessioned2018-08-30T15:08:44Z-
dc.date.available2018-08-30T15:08:44Z-
dc.date.created2018-08-30T17:08:42.645+02:00-
dc.date.issued2018-08-30T17:08:42.645+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/13305-
dc.descriptionV-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Copper-Mediated Reduction of Azides under Seemingly Oxidising Conditions: Catalytic and Computational Studies Journal: Catal. Sci. Technol.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-97-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2018-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titleV-
dc.typedataset-
dc.date.updated2018-08-30T15:08:44Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodUBP86en
cml.basisset6-31g(d)en
cml.basissetsdden
cml.multiplicity3en
cml.spintypeUnrestricteden
cml.shelltypeopenen
cml.charge1en
cml.energy.value-1114.53305168en
cml.energy.unitsEhen
cml.formula.genericC16H22CuN4Oen
cml.calculationtypeGeometry optimization Minimumen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Copper-Mediated Reduction of Azides under Seemingly Oxidising Conditions: Catalytic and Computational Studies



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