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dc.contributor.authorFondevila, Adiran J. De Aguirre-
dc.date.accessioned2021-05-11T14:39:51Z-
dc.date.available2021-12-03T10:20:12Z-
dc.date.created2021-05-11T16:39:48.647+02:00-
dc.date.issued2021-05-11T16:39:48.647+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/29433-
dc.descriptionTS-B_-E_-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-206-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2021-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titleTS-B_-E_-
dc.typedataset-
dc.date.updated2021-05-11T14:39:51Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodRM06en
cml.basisset6-31+G(D) GENECPen
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-1283.11762520en
cml.energy.unitsEhen
cml.formula.genericC19H15N5O2Pden
cml.calculationtypeGeometry optimization TSen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
Appears in Collections:O2_insert - DOI: 10.19061/iochem-bd-1-206



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