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PBEPBE-GD3MBJ_CHCl3_RuCH2_Py_SIMes_RuCH2_py_b.inpDownload
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Manuscript title: Bimolecular Coupling in Olefin Metathesis: Correlating Structure and Decomposition for Leading and Emerging Ruthenium−Carbene Catalysts

Journal: J. Am. Chem. Soc.

DOI: 10.1021/jacs.1c04424

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DC FieldValueLanguage
dc.contributor.authorFoscato, Marco-
dc.coverage.spatialES Barcelona Barcelona-
dc.date.accessioned2021-02-28T10:11:09Z-
dc.date.available2021-05-28T16:15:24Z-
dc.date.created2021-02-28T11:11:07.142+01:00-
dc.date.issued2021-02-28T11:11:07.142+01:00-
dc.identifier.urihttps://iochem-bd.bsc.es/browse/handle/100/197399-
dc.descriptionsingle point energy-
dc.publisherUniversity of Bergen-
dc.relationOriginal title: Bimolecular Coupling in Olefin Metathesis: Correlating Structure and Decomposition for Leading and Emerging Ruthenium−Carbene Catalysts DOI: 10.1021/jacs.1c04424 Journal: J. Am. Chem. Soc.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-6-79-
dc.relation.urihttp://dx.doi.org/10.1021/jacs.1c04424*
dc.rightsCC BY 4.0 (c) Barcelona Supercomputing Center, 2021-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title/SP_PBEPBE_GD3MBJ_CHCl3 M1-
dc.typedataset-
dc.date.updated2021-02-28T10:11:09Z-
cml.program.nameGaussianen
cml.program.version16en
cml.program.otherES64L-G16RevC.01en
cml.methodRPBEPBEen
cml.basissetGENECPen
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-2226.90698285en
cml.energy.unitsEhen
cml.formula.genericC27H33Cl2N3Ruen
cml.calculationtypeSingle point Structureen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:BMC - DOI: 10.19061/iochem-bd-6-79



Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/197399

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