Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File  
Na-Br-C5-3THF-I6.inDownload
output.cmlDownload
Referenced by:

Manuscript title: Copper catalyzed borylative ring closing C-C coupling toward spiro- and dispiroheterocycles

Journal: ACS Catal.

DOI: 10.1021/acscatal.8b00257

Full metadata record
DC FieldValueLanguage
dc.contributor.authorNi, Shaofei-
dc.date.accessioned2018-02-27T09:07:20Z-
dc.date.available2018-02-27T09:07:20Z-
dc.date.created2018-02-27T10:07:19.02+01:00-
dc.date.issued2018-02-27T10:07:19.02+01:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/8893-
dc.descriptionNa-Br-C5-3THF-I6-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Copper catalyzed borylative ring closing C-C coupling toward spiro- and dispiroheterocycles DOI: 10.1021/acscatal.8b00257 Journal: ACS Catal.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-67-
dc.relation.urihttp://dx.doi.org/10.1021/acscatal.8b00257-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2018-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titleNa-Br-C5-3THF-I6-
dc.typedataset-
dc.date.updated2018-02-27T09:07:20Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodRwB97XDen
cml.basisset6-311++g**en
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-3306.48564208en
cml.energy.unitsEhen
cml.formula.genericC61H76BBr1CuO7P2Naen
cml.calculationtypeSingle point Structureen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Copper catalyzed borylative ring closing C-C coupling toward spiro- and dispiroheterocycles



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/8893

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