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Manuscript title: Mechanistic insights into the rhodium catalysed dehydrogenative cycloaddition of cyano-yne-allene substrates

DOI: 10.1039/D4QO00378K

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DC FieldValueLanguage
dc.contributor.authordiaz, alex-
dc.date.accessioned2024-02-27T15:37:58Z-
dc.date.available2024-05-07T13:41:20Z-
dc.date.created2024-02-27T16:37:56.751+01:00-
dc.date.issued2024-02-27T16:37:56.751+01:00-
dc.identifier.urihttps://iochem.udg.edu/browse/handle/100/5176-
dc.descriptionTSB4B5-
dc.publisherUdG-
dc.publisherIQCC-
dc.relationOriginal title: Mechanistic insights into the rhodium catalysed dehydrogenative cycloaddition of cyano-yne-allene substrates DOI: 10.1039/D4QO00378K*
dc.relation.urihttp://dx.doi.org/10.1039/D4QO00378K*
dc.rightsCC BY 4.0 (c) UdG, 2024-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectRhodium-
dc.subjectCycloaddition-
dc.titleTSB4B5-
dc.typedataset-
dc.date.updated2024-02-27T15:37:58Z-
cml.program.nameGaussianen
cml.program.version16en
cml.program.otherES64L-G16RevA.03en
cml.methodRB3LYPen
cml.basissetCC-PVDZ GENen
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-2767.81095975en
cml.energy.unitsEhen
cml.formula.genericC29H29ClN2O3PRhSen
cml.calculationtypeGeometry optimization TSen
cml.hassolventfalseen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Allene-yne-nitrile



Please use this identifier to cite or link to this item: https://iochem.udg.edu/browse/handle/100/5176

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