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Manuscript title: One Oxygen Vacancy, Two Charge States: Characterization of Reduced α-MoO3(010) through Theoretical Methods

DOI: 10.1021/acs.jpclett.8b00536

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DC FieldValueLanguage
dc.contributor.authorRellán, Marcos-
dc.date.accessioned2017-12-22T11:33:42Z-
dc.date.available2018-04-30T14:59:24Z-
dc.date.created2017-12-22T12:33:39.882+01:00-
dc.date.issued2017-12-22T12:33:39.882+01:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/8541-
dc.descriptionDOS for defective surface with two Mo(V)-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: One Oxygen Vacancy, Two Charge States: Characterization of Reduced α-MoO3(010) through Theoretical Methods DOI: 10.1021/acs.jpclett.8b00536*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-59-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2017-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titleVac-Ot_2xMo(V)-DOS-
dc.typedataset-
dc.date.updated2017-12-22T11:33:42Z-
cml.program.namevaspen
cml.program.version5.3.3en
cml.program.other18Dez12 (build Jan 17 2013 15:17:09) complexen
cml.shelltypeOpen shellen
cml.energy.value-1072.95355319en
cml.energy.unitseVen
cml.formula.genericMo36O107en
cml.calculationtypeSingle pointen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Collection of: One Oxygen Vacancy, Two Charge States: Characterization of Reduced α-MoO3(010) through Theoretical Methods - DOI: 10.19061/iochem-bd-1-59



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