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Manuscript title: Crystallizing Elusive Chromium Polycations.

Journal: Chem

DOI: 10.1016/j.chempr.2016.11.006

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DC FieldValueLanguage
dc.contributor.authorBandeira, Nuno-
dc.date.accessioned2016-12-12T10:06:20Z-
dc.date.available2016-12-12T10:06:20Z-
dc.date.created2016-12-12T11:06:18.457+01:00-
dc.date.issued2016-12-12T11:06:18.457+01:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/1715-
dc.descriptionCr/0/2/4-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Crystallizing Elusive Chromium Polycations. DOI: 10.1016/j.chempr.2016.11.006 Journal: Chem*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-23-
dc.relation.urihttp://dx.doi.org/10.1016/j.chempr.2016.11.006-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2016-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title/Al6Cr6_models/Cr0_2_4 Cr_0_2_4-
dc.typedataset-
dc.date.updated2016-12-12T10:06:20Z-
cml.program.nameADFen
cml.program.version2013en
cml.program.other01en
cml.methodDFTen
cml.basissetTZPen
cml.multiplicity19en
cml.spintypeRestricteden
cml.spintypeUNrestricteden
cml.charge8en
cml.energy.value-21.32651486en
cml.energy.unitsEhen
cml.formula.genericH54Al6Cr6O43Zn2en
cml.calculationtypeGeometry optimizationen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs6en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Al(x)Cr(y)_Keggin_oxos - DOI: 10.19061/iochem-bd-1-23



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/1715

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