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Manuscript title: Electronic Structure Studies on the Whole Keplerate Family: Predicting New Members

Journal: Chem. Eur. J.

DOI: 10.1002/chem.201605981

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DC FieldValueLanguage
dc.contributor.authorMelgar, Dolores-
dc.date.accessioned2016-12-15T11:35:12Z-
dc.date.available2017-03-27T19:22:55Z-
dc.date.created2016-12-15T12:35:10.932+01:00-
dc.date.issued2016-12-15T12:35:10.932+01:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/1778-
dc.descriptionW72Mo60 (mu-O)2-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Electronic Structure Studies on the Whole Keplerate Family: Predicting New Members DOI: 10.1002/chem.201605981 Journal: Chem. Eur. J.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-24-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2016-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titleW72Mo60_muO2-
dc.typedataset-
dc.date.updated2016-12-15T11:35:12Z-
cml.program.nameADFen
cml.program.version2012en
cml.program.other01en
cml.methodDFTen
cml.basissetTZPen
cml.multiplicity1en
cml.spintypeRestricteden
cml.charge-12en
cml.formula.genericMo60O372W72en
cml.calculationtypeGeometry optimizationen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs4en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Electronic Structure Studies on the Whole Keplerate Family



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