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Manuscript title: Domino Synthesis of Bicyclic 3,5-Anhydro Furanose Mimics Using a Binary Al(III) Complex/Halide Catalyst

Journal: ACS Catal.

DOI: 10.1021/acscatal.2c00925

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DC FieldValueLanguage
dc.contributor.authorGaray Ruiz, Diego-
dc.date.accessioned2022-02-11T08:54:53Z-
dc.date.available2022-04-28T13:46:57Z-
dc.date.created2022-02-11T09:54:52.41+01:00-
dc.date.issued2022-02-11T09:54:52.41+01:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/36215-
dc.descriptionTS5A, WB97XD/6-311G(d,p)-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Domino Synthesis of Bicyclic 3,5-Anhydro Furanose Mimics Using a Binary Al(III) Complex/Halide Catalyst DOI: 10.1021/acscatal.2c00925 Journal: ACS Catal.*
dc.relation.urihttp://dx.doi.org/10.1021/acscatal.2c00925*
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2022-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectHeterocycles-
dc.subjectorganometallic catalysis-
dc.subjectAluminum catalysis-
dc.subjectDFT-
dc.subjectHomogeneous catalysis-
dc.subjectbisepoxyalcohol-
dc.subjectbicycle formation-
dc.title/Pathway_c4c5_nocat TS5A-
dc.typedataset-
dc.date.updated2022-02-11T08:54:53Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodRwB97XDen
cml.basisset6-311G(D,P)en
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge-1en
cml.energy.value-3226.25003482en
cml.energy.unitsEhen
cml.formula.genericC11H12BrO3en
cml.calculationtypeGeometry optimization TSen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Bisepoxyalcohol cyclization - DOI: 10.19061/iochem-bd-1-232



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/36215

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