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Manuscript title: Magneto-Structural Analysis of Iron(III) Keggin Polyoxometalates

Journal: J. Phys. Chem. A

DOI: 10.1021/acs.jpca.6b10763

Full metadata record
DC FieldValueLanguage
dc.contributor.authorBandeira, Nuno-
dc.date.accessioned2016-10-21T08:57:14Z-
dc.date.available2017-01-26T15:40:16Z-
dc.date.created2016-10-21T10:57:11.382+02:00-
dc.date.issued2016-10-21T10:57:11.382+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/1298-
dc.descriptionbroken symmetry S=5/2-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Magneto-Structural Analysis of Iron(III) Keggin Polyoxometalates DOI: 10.1021/acs.jpca.6b10763 Journal: J. Phys. Chem. A*
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2016-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title/As4Fe8W30 BS-
dc.typedataset-
dc.date.updated2016-10-21T08:57:13Z-
cml.program.nameADFen
cml.program.version2014en
cml.methodDFTen
cml.basissetTZPen
cml.basissetDZPen
cml.multiplicity6en
cml.spintypeRestricteden
cml.spintypeUNrestricteden
cml.charge-10en
cml.formula.genericH2AsFe3O40W9en
cml.calculationtypeSingle pointen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs6en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Fe(III) Keggin structures - DOI: 10.19061/iochem-bd-1-18



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/1298

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