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Manuscript title: Inhibition of (dppf)nickel-catalysed Suzuki-Miyaura cross-coupling reactions by α-halo-N-heterocycles

Journal: Chemical Science Chem. Sci.

DOI: 10.1039/D1SC04582B

Full metadata record
DC FieldValueLanguage
dc.contributor.authorNelson, David-
dc.coverage.spatialES Barcelona Barcelona-
dc.date.accessioned2021-10-12T09:03:37Z-
dc.date.available2021-10-12T09:03:37Z-
dc.date.created2021-10-12T11:03:34.584+02:00-
dc.date.issued2021-10-12T11:03:34.584+02:00-
dc.identifier.urihttps://iochem-bd.bsc.es/browse/handle/100/199735-
dc.description3-chloropyridine-
dc.publisherSyngenta, Bracknell-
dc.publisherUniversity of Strathclyde, Glasgow-
dc.publisherAstraZeneca, Macclesfield-
dc.relationOriginal title: Inhibition of (dppf)nickel-catalysed Suzuki-Miyaura cross-coupling reactions by α-halo-N-heterocycles DOI: 10.1039/D1SC04582B Journal: Chemical Science Chem. Sci.-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-6-112-
dc.relation.urihttp://dx.doi.org/10.1039/D1SC04582B-
dc.rightsCC BY 4.0 (c) Barcelona Supercomputing Center, 2021-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectorganometallic chemistry-
dc.subjectnickel-
dc.subjectDensity functional calculations-
dc.subjectcatalysis-
dc.subjecthomogeneous catalysis-
dc.subjectreaction mechanisms-
dc.title/ArX 3-pyCl-
dc.typedataset-
dc.date.updated2021-10-12T09:03:36Z-
cml.program.nameGaussianen
cml.program.version16en
cml.program.otherES64L-G16RevC.01en
cml.methodRM06en
cml.basisset6-311+G(D,P) GENECPen
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.energy.value-707.754282en
cml.energy.unitsEhen
cml.formula.genericC5H4ClNen
cml.calculationtypeSingle point Structureen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Nickel_Pyridine - DOI: 10.19061/iochem-bd-6-112



Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/199735

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