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dc.contributor.authorOrtuño, Manuel-
dc.date.accessioned2019-12-04T14:36:43Z-
dc.date.available2020-05-28T17:27:53Z-
dc.date.created2019-12-04T15:36:42.211+01:00-
dc.date.issued2019-12-04T15:36:42.211+01:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/21612-
dc.descriptionFrequency calculation || Additional files: single-point with large basis set-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-143-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2019-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title3TS_(TS3-4)-
dc.typedataset-
dc.date.updated2019-12-04T14:36:43Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodRM062Xen
cml.basisset6-31G** 6-31+G* GENen
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-1244.21090875en
cml.energy.unitsEhen
cml.formula.genericC17H32LiNO3Sien
cml.calculationtypeSingle point Structureen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Li-Catalyzed_Hydrosilylation



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