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dc.contributor.authorRoser, Morales-
dc.coverage.spatialCatalonia Spain ES-
dc.date.accessioned2017-09-12T14:46:10Z-
dc.date.available2018-04-23T14:57:12Z-
dc.date.created2017-09-12T16:46:08.567+02:00-
dc.date.issued2017-09-12T16:46:08.567+02:00-
dc.identifier.urihttps://iochem-bd.urv.es/browse/handle/100/367-
dc.descriptionSIII optimisation-
dc.publisherUniversitat Rovira i Virgili-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-2-20-
dc.rightsCC BY 4.0 (c) Universitat Rovira i Virgili, 2017-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectGeometry optimization-
dc.subjectUranium-
dc.subjectElectrochemistry-
dc.subjectFullerenes-
dc.subjectRaman spectroscopy-
dc.title/Gaussian09_calculations/opt SIII_opt-
dc.typedataset-
dc.date.updated2017-09-12T14:46:10Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodUBP86en
cml.basisset6-31g(d,p)en
cml.basissetSDDen
cml.multiplicity7en
cml.spintypeUnrestricteden
cml.shelltypeopenen
cml.charge0en
cml.energy.value-4002.85870815en
cml.energy.unitsEhen
cml.formula.genericC80U2en
cml.calculationtypeGeometry optimization Minimumen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:U2@C80 - DOI: 10.19061/iochem-bd-2-20



Please use this identifier to cite or link to this item: https://iochem-bd.urv.es/browse/handle/100/367

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