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dc.contributor.authorLang, Zhongling-
dc.coverage.spatialES Barcelona-
dc.date.accessioned2019-11-01T06:51:37Z-
dc.date.available2019-11-01T06:51:37Z-
dc.date.created2019-11-01T07:51:34.619+01:00-
dc.date.issued2019-11-01T07:51:34.619+01:00-
dc.identifier.urihttps://iochem-bd.bsc.es/browse/handle/100/194114-
dc.descriptionopt+freq-
dc.publisherBarcelona Supercomputing Center-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-6-27-
dc.rightsCC BY 4.0 (c) Barcelona Supercomputing Center, 2019-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titlePtW6O24-
dc.typedataset-
dc.date.updated2019-11-01T06:51:37Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherES64L-G09RevD.01en
cml.methodRM06en
cml.basisset6-31G(D) LANL2DZ GENen
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge-8en
cml.energy.value-2332.59459446en
cml.energy.unitsEhen
cml.formula.genericO24PtW6en
cml.calculationtypeGeometry optimization Minimumen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
Appears in Collections:PtW6-HER



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