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DC FieldValueLanguage
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodUB3LYPen
cml.basisset6-311+G(d,p)en
cml.multiplicity2en
cml.spintypeUnrestricteden
cml.shelltypeopenen
cml.charge0en
cml.energy.value-948.038890059en
cml.energy.unitsEhen
cml.formula.genericC14H24IN4Nien
cml.calculationtypeSingle point Structureen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
cml.formula.smilesCC1C(C)N(C)C([Ni]C2N(C)C(C)C(C)N2C)N1C.Ien
dc.contributor.authorMaseras, Feliu-
dc.contributor.otherInstitute of Chemical Research of Cataloniaen
dc.date.accessioned2018-08-30T11:17:29Z-
dc.date.accessioned2019-05-04T15:39:32Z-
dc.date.available2018-08-30T11:17:29Z-
dc.date.available2019-05-04T15:39:32Z-
dc.date.created2018-08-30T13:17:27.891+02:00-
dc.date.issued2018-08-30T13:17:27.891+02:00-
dc.identifier.urihttps://www.iochem-bd.org//handle/10/13233-
dc.descriptionlarge_basis/A-6-I/NiIITMe2_bb-
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.titlelarge_basis_A-6-I_NiIITMe2_bb-
dc.typedataset-
dc.date.updated2018-08-30T11:17:29Z-
Appears in Collections:Steric effects determine the mechanisms of reactions between bis(N-heterocyclic carbene)-nickel(0) complexes and aryl halides

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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



Please use this identifier to cite or link to this item: https://www.iochem-bd.org//handle/10/13233

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