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Manuscript title: Assembly of Complex 1,4-Cycloheptadienes by (4+3) Cycloaddition of Rhodium(II) and Gold(I) Non-Acceptor Carbenes

Journal: Angew. Chem. Int. Ed.

DOI: 10.1002/anie.202012092

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DC FieldValueLanguage
dc.contributor.authorArmengol i Relats, Helena-
dc.date.accessioned2020-10-16T08:09:22Z-
dc.date.available2020-10-16T08:09:22Z-
dc.date.created2020-10-16T10:09:21.111+02:00-
dc.date.issued2020-10-16T10:09:21.111+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/27390-
dc.descriptionMM3-27-cisdistal_int-to-CHDprod-TSopt_maxstep5-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.publisherDepartament de Química Analítica i Química Orgànica de Universitat Rovira i Virgili-
dc.relationOriginal title: Assembly of Complex 1,4-Cycloheptadienes by (4+3) Cycloaddition of Rhodium(II) and Gold(I) Non-Acceptor Carbenes DOI: 10.1002/anie.202012092 Journal: Angew. Chem. Int. Ed.-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-186-
dc.relation.urihttp://dx.doi.org/10.1002/anie.202012092-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2020-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectCycloaddition-
dc.subjectCarbenes-
dc.title/Rh/TS_Va_VII MM3-27-cisdistal_int-to-CHDprod-TSopt_maxstep5-
dc.typedataset-
dc.date.updated2020-10-16T08:09:22Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodRB3LYPen
cml.basissetLANL2DZ 6-31G(D,P) GENECPen
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-2905.20402067en
cml.energy.unitsEhen
cml.formula.genericC23H16F12O8Rh2en
cml.calculationtypeGeometry optimization TSen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
Appears in Collections:4+3 - DOI: 10.19061/iochem-bd-1-186



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/27390

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