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DC FieldValueLanguage
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodRM06en
cml.basisset6-31G*en
cml.basissetSDDen
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge1en
cml.energy.value-1253.46318695en
cml.energy.unitsEhen
cml.formula.genericC20H25AuPen
cml.calculationtypeGeometry optimization TSen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
cml.formula.smilesC[P-4](C)(C)[Au]CCC1CCCCC1.CC(C)C1CCCCC1en
dc.contributor.authorde Orbe, M. Elena-
dc.contributor.otherInstitute of Chemical Research of Cataloniaen
dc.date.accessioned2017-07-21T10:02:40Z-
dc.date.accessioned2019-05-04T12:46:05Z-
dc.date.available2017-07-21T10:02:40Z-
dc.date.available2019-05-04T12:46:05Z-
dc.date.created2017-07-21T12:02:38.11+02:00-
dc.date.issued2017-07-21T12:02:38.11+02:00-
dc.identifier.urihttps://www.iochem-bd.org//handle/10/8027-
dc.descriptionTS(2-4)a-
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.titleTS(2-4)a-
dc.typedataset-
dc.date.updated2017-07-21T10:02:40Z-
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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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



Please use this identifier to cite or link to this item: https://www.iochem-bd.org//handle/10/8027

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