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dc.contributor.authorMoreno Vicente, Antonio-
dc.coverage.spatialES Tarragona-
dc.date.accessioned2019-05-14T10:04:45Z-
dc.date.available2019-05-14T10:04:45Z-
dc.date.created2019-05-14T12:04:44.164+02:00-
dc.date.issued2019-05-14T12:04:44.164+02:00-
dc.identifier.urihttps://iochem-bd.urv.es/browse/handle/100/610-
dc.descriptionCF-U2-nonet-
dc.publisherUniversitat Rovira i Virgili-
dc.rightsCC BY 4.0 (c) Universitat Rovira i Virgili, 2019-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title/1-2 CF-U2-nonet-
dc.typedataset-
dc.date.updated2019-05-14T10:04:45Z-
cml.program.nameADFen
cml.program.version2017en
cml.methodDFTen
cml.basissetTZPen
cml.multiplicity7en
cml.spintypeRestricteden
cml.spintypeUNrestricteden
cml.charge0en
cml.energy.value-43.88017463en
cml.energy.unitsEhen
cml.formula.genericC118H30U2en
cml.calculationtypeGeometry optimizationen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs4en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Uranium_Ions_Form_Strong_Metal-Metal_Bonds_within_Fullerenes



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