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Manuscript title: The Janus face of high trans-effect carbenes in olefin metathesis: Gateway to both productivity and decomposition.

Journal: Chem. Sci.

DOI: 10.1039/D2SC00855F

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DC FieldValueLanguage
dc.contributor.authorOcchipinti, Giovanni-
dc.contributor.authorFoscato, Marco-
dc.contributor.authorJensen, Vidar R.-
dc.coverage.spatialES Barcelona Barcelona-
dc.date.accessioned2021-10-15T07:10:09Z-
dc.date.available2022-03-10T14:10:00Z-
dc.date.created2021-10-15T09:10:06.734+02:00-
dc.date.issued2021-10-15T09:10:06.734+02:00-
dc.identifier.urihttps://iochem-bd.bsc.es/browse/handle/100/199942-
dc.descriptiongeometry optimization + frequencies-
dc.publisherUniversity of Bergen-
dc.publisherBarcelona Supercomputing Center-
dc.relationOriginal title: The Janus face of high trans-effect carbenes in olefin metathesis: Gateway to both productivity and decomposition. DOI: 10.1039/D2SC00855F Journal: Chem. Sci.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-6-113-
dc.relation.urihttp://dx.doi.org/10.1039/D2SC00855F*
dc.rightsCC BY 4.0 (c) Barcelona Supercomputing Center, 2021-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectOlefin metathesis-
dc.subjectMetathesis-
dc.title/GeomOpt_PBEPBE M70-
dc.typedataset-
dc.date.updated2021-10-15T07:10:09Z-
cml.program.nameGaussianen
cml.program.version16en
cml.program.otherES64L-G16RevB.01en
cml.methodRHFen
cml.methodRPBEPBEen
cml.basissetGENECP GENen
cml.multiplicity1en
cml.spintypeRestricted Restricteden
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-2541.4443143en
cml.energy.unitsEhen
cml.formula.genericC38H43Cl2NRuen
cml.calculationtypeGeometry optimization Minimumen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs6en
cml.hasmolecularorbitalsfalseen
Appears in Collections:beta_H_elimination_NHC_vs_CAAC - DOI: 10.19061/iochem-bd-6-113



Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/199942

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