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DC FieldValueLanguage
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodRB97Den
cml.basisset6-31g(d)en
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-615.470626594en
cml.energy.unitsEhen
cml.formula.genericC14H12Oen
cml.calculationtypeGeometry optimization TSen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
cml.formula.smilesCCC(CO)C1CCC2CCCCC2C1en
dc.contributor.authorKuniyil, Rositha-
dc.contributor.otherInstitute of Chemical Research of Cataloniaen
dc.date.accessioned2018-01-29T09:55:42Z-
dc.date.accessioned2019-05-04T12:23:04Z-
dc.date.available2018-05-08T15:26:12Z-
dc.date.available2019-05-04T12:23:04Z-
dc.date.created2018-01-29T10:55:41.575+01:00-
dc.date.issued2018-01-29T10:55:41.575+01:00-
dc.identifier.urihttps://www.iochem-bd.org//handle/10/7383-
dc.descriptionTransition State-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-62-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2018-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titlet_M2´-M2_nap-
dc.typedataset-
dc.date.updated2018-01-29T09:55:42Z-
Appears in Collections:A Domino Process towards Functionally Dense Quaternary Carbons through Pd-Catalyzed Decarboxylative Csp3-Csp3 Bond Formation

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Please use this identifier to cite or link to this item: https://www.iochem-bd.org//handle/10/7383

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