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Manuscript title: Effect of an Al(III) Complex on the Regio- and Stereoisomeric Formation of Bicyclic Organic Carbonates

Journal: Organometallics

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DC FieldValueLanguage
dc.contributor.authorGaray Ruiz, Diego-
dc.date.accessioned2019-10-29T14:20:32Z-
dc.date.available2020-01-28T11:55:09Z-
dc.date.created2019-10-29T15:20:30.643+01:00-
dc.date.issued2019-10-29T15:20:30.643+01:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/21560-
dc.descriptionB97D3/6-311G(d,p)-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Effect of an Al(III) Complex on the Regio- and Stereoisomeric Formation of Bicyclic Organic Carbonates Journal: Organometallics*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-141-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2019-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectRegioselectivity-
dc.subjectOrganocatalysis-
dc.subjectCyclic Carbonates-
dc.subjectCarbon dioxide fixation-
dc.titlea_hemicarb-
dc.typedataset-
dc.date.updated2019-10-29T14:20:32Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodRB97D3en
cml.basisset6-311G(D,P)en
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge-1en
cml.energy.value-3226.45700511en
cml.energy.unitsEhen
cml.formula.genericC9H12BrO4en
cml.calculationtypeGeometry optimization Minimumen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Regio- and Stereoisomeric Formation of Bicyclic Organic Carbonates: DFT Studies



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