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Manuscript title: The Problematic ArFAlkynyl Coupling with Fluorinated Aryls. From Partial Success with Alkynyl Stannanes to Efficient Solutions, via Mechanistic Understanding of the Hidden Complexity

Journal: J. Am. Chem. Soc.

DOI: 10.1021/jacs.2c10842

Full metadata record
DC FieldValueLanguage
dc.contributor.authorPeñas-Defrutos, Marconi N.-
dc.coverage.spatialES Barcelona Barcelona-
dc.date.accessioned2021-09-08T15:03:05Z-
dc.date.available2022-11-29T17:22:17Z-
dc.date.created2021-09-08T17:03:02.209+02:00-
dc.date.issued2021-09-08T17:03:02.209+02:00-
dc.identifier.urihttps://iochem-bd.bsc.es/browse/handle/100/199234-
dc.descriptionGeometry_optimization_minimum-
dc.publisherTrinity College Dublin, CCEM Group-
dc.publisherUniversidad de Valladolid, IU CINQUIMA-
dc.relationOriginal title: The Problematic Ar<sup>F</sup>Alkynyl Coupling with Fluorinated Aryls. From Partial Success with Alkynyl Stannanes to Efficient Solutions, via Mechanistic Understanding of the Hidden Complexity DOI: 10.1021/jacs.2c10842 Journal: J. Am. Chem. Soc.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-6-102-
dc.relation.urihttp://dx.doi.org/10.1021/jacs.2c10842*
dc.rightsCC BY 4.0 (c) Barcelona Supercomputing Center, 2021-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titlePd-Alk-Sn-
dc.typedataset-
dc.date.updated2021-09-08T15:03:05Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherES64L-G09RevE.01en
cml.methodRwB97XDen
cml.basissetLANL2DZ 6-31G(D) 6-31+G(D) 6-31G(D,P) GENen
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-1766.97108259en
cml.energy.unitsEhen
cml.formula.genericC32H36NPPdSnen
cml.calculationtypeGeometry optimization Minimumen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Stille_PdSn - DOI: 10.19061/iochem-bd-6-102



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