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Manuscript title: Experimental and Theoretical Investigation of the Synchronicity of Ambident Silyloxypyrone-Based (5 + 2) Cycloadditions

Journal: J. Org. Chem.

DOI: 10.1021/acs.joc.3c00318

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DC FieldValueLanguage
dc.contributor.authorGuo, Wentao-
dc.coverage.spatialES Barcelona-
dc.date.accessioned2023-02-09T06:45:32Z-
dc.date.available2023-04-17T00:59:24Z-
dc.date.created2023-02-09T07:45:29.7+01:00-
dc.date.issued2023-02-09T07:45:29.7+01:00-
dc.identifier.urihttps://iochem-bd.bsc.es/browse/handle/100/271404-
dc.descriptionconcerted (5+2)-
dc.publisherBarcelona Supercomputing Center-
dc.relationOriginal title: Experimental and Theoretical Investigation of the Synchronicity of Ambident Silyloxypyrone-Based (5 + 2) Cycloadditions DOI: 10.1021/acs.joc.3c00318 Journal: J. Org. Chem.*
dc.relation.urihttp://dx.doi.org/10.1021/acs.joc.3c00318*
dc.rightsCC BY 4.0 (c) Barcelona Supercomputing Center, 2023-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectCycloaddition-
dc.title/enamine TS4c_DCM-
dc.typedataset-
dc.date.updated2023-02-09T06:45:32Z-
cml.program.nameGaussianen
cml.program.version16en
cml.program.otherES64L-G16RevC.01en
cml.methodRM062Xen
cml.basisset6-31G(D,P)en
cml.multiplicity1en
cml.spintypeRestricteden
cml.charge0en
cml.energy.value-1885.65916512en
cml.energy.unitsEhen
cml.formula.genericC26H41NO7Sien
cml.calculationtypeGeometry optimization TSen
cml.hassolventfalseen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
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Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/271404

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