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Manuscript title: Cyclobutene vs. 1,3-Diene Formation in the Gold-Catalyzed Reaction of Alkynes with Alkenes: The Complete Mechanistic Picture

Journal: J. Am. Chem. Soc.

DOI: 10.1021/jacs.7b03005

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DC FieldValueLanguage
dc.contributor.authorde Orbe, M. Elena-
dc.date.accessioned2017-07-21T09:58:08Z-
dc.date.available2017-07-21T09:58:08Z-
dc.date.created2017-07-21T11:58:06.163+02:00-
dc.date.issued2017-07-21T11:58:06.163+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/5402-
dc.descriptionInt2g-
dc.publisherDepartament de Química Analítica i Química Orgànica, Universitat Rovira i Virgili, C/Marcel·li Domingo s/n, 43007 Tarragona, Spain.-
dc.publisherDepartament de Química, Universitat Autònoma de Barcelona, 08193 Bellaterra, Spain.-
dc.publisherInstitute of Chemical Research of Catalonia (ICIQ), Barcelona Institute of Science and Technology, Av. Països Catalans 16, 43007 Tarragona, Spain.-
dc.relationOriginal title: Cyclobutene vs. 1,3-Diene Formation in the Gold-Catalyzed Reaction of Alkynes with Alkenes: The Complete Mechanistic Picture DOI: 10.1021/jacs.7b03005 Journal: J. Am. Chem. Soc.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-47-
dc.relation.urihttp://dx.doi.org/10.1021/jacs.7b03005-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2017-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titleInt2g-
dc.typedataset-
dc.date.updated2017-07-21T09:58:07Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevA.02en
cml.methodRM06en
cml.basisset6-31G*en
cml.basissetSDDen
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge1en
cml.energy.value-980.882816599en
cml.energy.unitsEhen
cml.formula.genericC13H15AuPen
cml.calculationtypeGeometry optimization Minimumen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Cyclobutene vs. 1,3-Diene Formation in the Gold-Catalyzed Reaction of Alkynes with Alkenes: The Complete Mechanistic Picture



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