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Manuscript title: Measuring the relative reactivity of the carbon-hydrogen bonds of alkanes as nucleophiles

Journal: Angew. Chem. Int. Ed.

DOI: 10.1002/anie.201807448

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DC FieldValueLanguage
dc.contributor.authorBesora, Maria-
dc.date.accessioned2018-07-18T08:10:05Z-
dc.date.available2018-07-18T08:10:05Z-
dc.date.created2018-07-18T10:10:03.464+02:00-
dc.date.issued2018-07-18T10:10:03.464+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/10075-
dc.descriptionTS for S1-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Measuring the relative reactivity of the carbon-hydrogen bonds of alkanes as nucleophiles DOI: 10.1002/anie.201807448 Journal: Angew. Chem. Int. Ed.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-90-
dc.relation.urihttp://dx.doi.org/10.1002/anie.201807448R1-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2018-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titleS1-
dc.typedataset-
dc.date.updated2018-07-18T08:10:05Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodRB97Den
cml.basisset6-31g*en
cml.basissetlanl2dzen
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-4647.51622365en
cml.energy.unitsEhen
cml.formula.genericC34H15BF27N6O2Agen
cml.calculationtypeGeometry optimization TSen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Measuring the relative reactivity of the carbon-hydrogen bonds of alkanes as nucleophiles - DOI: 10.19061/iochem-bd-1-90



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