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small_basis_A-2-Cl_cisNiClPhITMe2_isom1_r_scanCCl_s15.inDownload
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Manuscript title: Steric effects determine the mechanisms of reactions between bis(N-heterocyclic carbene)-nickel(0) complexes and aryl halides

Journal: Chem. Commun.

DOI: 10.1039/C8CC06379F

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DC FieldValueLanguage
dc.contributor.authorMaseras, Feliu-
dc.date.accessioned2018-08-30T11:07:39Z-
dc.date.available2018-08-30T11:07:39Z-
dc.date.created2018-08-30T13:07:36.342+02:00-
dc.date.issued2018-08-30T13:07:36.342+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/13142-
dc.descriptionsmall_basis/A-2-Cl/cisNiClPhITMe2_isom1_r_scanCCl_s15-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Steric effects determine the mechanisms of reactions between bis(N-heterocyclic carbene)-nickel(0) complexes and aryl halides DOI: 10.1039/C8CC06379F Journal: Chem. Commun.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-96-
dc.relation.urihttp://dx.doi.org/10.1039/C8CC06379F-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2018-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titlesmall_basis_A-2-Cl_cisNiClPhITMe2_isom1_r_scanCCl_s15-
dc.typedataset-
dc.date.updated2018-08-30T11:07:39Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodRB3LYPen
cml.basisset6-31G*en
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-1628.20971396en
cml.energy.unitsEhen
cml.formula.genericC20H29ClN4Nien
cml.calculationtypeGeometry optimization Minimumen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Steric effects determine the mechanisms of reactions between bis(N-heterocyclic carbene)-nickel(0) complexes and aryl halides - DOI: 10.19061/iochem-bd-1-96



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