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dc.contributor.authorSole, Albert-
dc.coverage.spatialCatalonia Spain ES-
dc.date.accessioned2017-10-17T07:55:44Z-
dc.date.available2018-04-16T09:42:24Z-
dc.date.created2017-10-17T09:55:42.588+02:00-
dc.date.issued2017-10-17T09:55:42.588+02:00-
dc.identifier.urihttps://iochem-bd.urv.es/browse/handle/100/403-
dc.descriptionSingle-point calculation of the POM-1 belonging to adduct 3.-
dc.publisherUniversitat Rovira i Virgili-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-2-22-
dc.rightsCC BY 4.0 (c) Universitat Rovira i Virgili, 2017-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectOrganic-inorganic hybrid composites-
dc.subjectSingle-point-
dc.subjectDimer-
dc.subjectPolyoxometalates-
dc.titlepom1_3-
dc.typedataset-
dc.date.updated2017-10-17T07:55:43Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodRB3LYPen
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge-4en
cml.energy.value-5751.19262679en
cml.energy.unitsEhen
cml.formula.genericC34H29N2O43PSnW11en
cml.calculationtypeSingle point Structureen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:POMSnFF - DOI: 10.19061/iochem-bd-2-22



Please use this identifier to cite or link to this item: https://iochem-bd.urv.es/browse/handle/100/403

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