ioChem-BD Browse module - Item page

Item metadata and files

Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File Retrieve
TMABr.inDownload
output.cmlDownload
Referenced by:

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

Journal: Organometallics

Full metadata record
DC FieldValueLanguage
dc.contributor.authorGaray Ruiz, Diego-
dc.date.accessioned2019-10-29T14:19:01Z-
dc.date.available2020-01-28T11:55:13Z-
dc.date.created2019-10-29T15:18:59.497+01:00-
dc.date.issued2019-10-29T15:18:59.497+01:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/21531-
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.titleTMABr-
dc.typedataset-
dc.date.updated2019-10-29T14:19:01Z-
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.charge0en
cml.energy.value-2789.80988227en
cml.energy.unitsEhen
cml.formula.genericC4H12BrNen
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 - DOI: 10.19061/iochem-bd-1-141



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/21531

Item files in Browse  Creative Commons License
HTML5 resume (see conditions inside)Creative Commons License