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dc.contributor.authorMateo, Ana-
dc.date.accessioned2019-07-17T06:51:36Z-
dc.date.available2019-07-17T06:51:36Z-
dc.date.created2019-07-17T08:51:35.207+02:00-
dc.date.issued2019-07-17T08:51:35.207+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/20651-
dc.descriptionOpt&Freq-
dc.publisherUniversitat Rovira i Virgili-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2019-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectNickel-
dc.subjectBorylation-
dc.subjectHomogeneous catalysis-
dc.subjectAryl Halide-
dc.titleTS-iso1_mono-
dc.typedataset-
dc.date.updated2019-07-17T06:51:36Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodRwB97XDen
cml.basissetLANL2DZ 6-311G** GENen
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-961.912128846en
cml.energy.unitsEhen
cml.formula.genericC9H14FNi1Pen
cml.calculationtypeGeometry optimization TSen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Favourable_Martin - DOI: 10.19061/iochem-bd-1-129



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/20651

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