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dc.contributor.authorMaza Quiroga, Ricardo José-
dc.coverage.spatialES Tarragona Tarragona-
dc.date.accessioned2021-10-14T13:45:38Z-
dc.date.available2021-10-14T13:45:38Z-
dc.date.created2021-10-14T15:45:36.987+02:00-
dc.date.issued2021-10-14T15:45:36.987+02:00-
dc.identifier.urihttps://iochem-bd.urv.es/browse/handle/100/1035-
dc.descriptionTSA-iPrOH-
dc.publisherUniversitat Rovira i Virgili-
dc.rightsCC BY 4.0 (c) Universitat Rovira i Virgili, 2021-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectComputational chemistry-
dc.subjectHomogeneous catalysis-
dc.subjectBoron-
dc.title/STEP-A/iPrOH TSA-iPrOH-
dc.typedataset-
dc.date.updated2021-10-14T13:45:38Z-
cml.program.nameGaussianen
cml.program.version16en
cml.program.otherES64L-G16RevA.03en
cml.methodRwB97XDen
cml.basisset6-31G(D,P)en
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge-1en
cml.energy.value-1696.97325961en
cml.energy.unitsEhen
cml.formula.genericC28H48B3O7en
cml.calculationtypeGeometry optimization TSen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Transborylation_reaction_of_alkenylboranes - DOI: 10.19061/iochem-bd-2-57



Please use this identifier to cite or link to this item: https://iochem-bd.urv.es/browse/handle/100/1035

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