Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File  
r_pmbo.runDownload
output.cmlDownload
Referenced by:

Manuscript title: Ni-Catalyzed Decarboxylative Silylation of Alkynyl Carbonates: Access to Chiral Allenes via Enantiospecific Conversions

Journal: Org. Lett.

DOI: 10.1021/acs.orglett.1c04086

Full metadata record
DC FieldValueLanguage
dc.contributor.authorVillar-Yanez, Alba-
dc.date.accessioned2021-11-26T20:59:39Z-
dc.date.available2022-01-11T12:02:41Z-
dc.date.created2021-11-26T21:59:37.928+01:00-
dc.date.issued2021-11-26T21:59:37.928+01:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/34263-
dc.descriptionSAOP/tzp with COSMO (Acetonitrile)-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Ni-Catalyzed Decarboxylative Silylation of Alkynyl Carbonates: Access to Chiral Allenes via Enantiospecific Conversions DOI: 10.1021/acs.orglett.1c04086 Journal: Org. Lett.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-221-
dc.relation.urihttp://dx.doi.org/10.1021/acs.orglett.1c04086*
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2021-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectUV/Vis spectroscopy-
dc.subjectCircular dichroism-
dc.subjectAllenols-
dc.subjectDFT-
dc.subjectEnantioselectivity-
dc.subjectAllenes-
dc.title/Circular_Dichroism CD_Center_of_Cluster_6_(R)-
dc.typedataset-
dc.date.updated2021-11-26T20:59:39Z-
cml.program.nameADFen
cml.program.version2019en
cml.methodSAOPen
cml.basissetTZPen
cml.multiplicity1en
cml.spintypeRestricteden
cml.charge0en
cml.formula.genericC23H30O3Sien
cml.calculationtypeSingle pointen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Theoretical_Circular_Dichroism - DOI: 10.19061/iochem-bd-1-221



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/34263

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