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Manuscript title: The Effect of Added Ligands on the Reactions of [Ni(COD)(dppf)] with Alkyl Halides: Halide Abstraction may be Reversible

Journal: Organometallics

DOI: 10.1021/acs.organomet.1c00280

Full metadata record
DC FieldValueLanguage
dc.contributor.authorNelson, David-
dc.date.accessioned2021-05-30T07:58:31Z-
dc.date.available2021-05-30T07:58:31Z-
dc.date.created2021-05-30T09:58:30.534+02:00-
dc.date.issued2021-05-30T09:58:30.534+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/29604-
dc.descriptionCOD-
dc.publisherAstraZeneca-
dc.publisherUniversity of Strathclyde-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: The Effect of Added Ligands on the Reactions of [Ni(COD)(dppf)] with Alkyl Halides: Halide Abstraction may be Reversible DOI: 10.1021/acs.organomet.1c00280 Journal: Organometallics*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-208-
dc.relation.urihttp://dx.doi.org/10.1021/acs.organomet.1c00280*
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2021-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectCross-coupling-
dc.subjectHomogeneous catalysis-
dc.subjectNickel-
dc.subjectHalides-
dc.subjectReaction mechanisms-
dc.title/benchmarking/DLPNO-CCSDT-cc-pVTZ COD-
dc.typedataset-
dc.date.updated2021-05-30T07:58:31Z-
cml.program.nameOrcaen
cml.program.version4.2.1en
cml.program.otherRELEASEen
cml.methodDLPNO-CCSD(T)en
cml.basissetcc-pVTZen
cml.basissetcc-pVTZ/Cen
cml.multiplicity1en
cml.spintypeRestricteden
cml.charge0en
cml.energy.value-309.99804789en
cml.energy.unitsEhen
cml.formula.genericC8H12en
cml.calculationtypeSingle pointen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Ni_alkyl_ligands - DOI: 10.19061/iochem-bd-1-208



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