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Manuscript title: Cs+ contac ion-pairing between hexaniobates and hexatantalates

Journal: PCCP

DOI: 10.1039/C6CP08454K

Full metadata record
DC FieldValueLanguage
dc.contributor.authorSerapian, Stefano-
dc.date.accessioned2016-09-19T13:51:59Z-
dc.date.available2017-03-28T09:38:10Z-
dc.date.created2016-09-19T15:51:57.975+02:00-
dc.date.issued2016-09-19T15:51:57.975+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/874-
dc.descriptionRefreq-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Cs+ contac ion-pairing between hexaniobates and hexatantalates DOI: 10.1039/C6CP08454K Journal: PCCP*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-31-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2016-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title/Cs8_Ta6 Refreq-
dc.typedataset-
dc.date.updated2016-09-19T13:51:59Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodRPBE1PBEen
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-1933.68759421en
cml.energy.unitsEhen
cml.formula.genericCs8O19Ta6en
cml.calculationtypeGeometry optimization TSen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Cs+ contac ion-pairing between hexaniobates and hexatantalates - DOI: 10.19061/iochem-bd-1-31



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/874

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