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Manuscript title: Tetracobalt-polyoxometalate catalysts for water oxidation: Key mechanistic details

Journal: J. Catal.

DOI: 10.1016/j.jcat.2017.03.018

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DC FieldValueLanguage
dc.contributor.authorPoblet, Josep M.-
dc.coverage.spatialES Tarragona-
dc.date.accessioned2018-02-16T10:26:44Z-
dc.date.available2018-02-16T10:26:44Z-
dc.date.created2018-02-16T11:26:43.07+01:00-
dc.date.issued2018-02-16T11:26:43.07+01:00-
dc.identifier.urihttps://iochem-bd.urv.es/browse/handle/100/440-
dc.descriptionVCo4_S3_opt-
dc.publisherUniversitat Rovira i Virgili-
dc.relationOriginal title: Tetracobalt-polyoxometalate catalysts for water oxidation: Key mechanistic details DOI: 10.1016/j.jcat.2017.03.018 Journal: J. Catal.-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-2-6-
dc.relation.urihttp://dx.doi.org/10.1016/j.jcat.2017.03.018-
dc.rightsCC BY 4.0 (c) Universitat Rovira i Virgili, 2018-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titleVCo4_S3_opt-
dc.typedataset-
dc.date.updated2018-02-16T10:26:44Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevA.02en
cml.methodUB3LYPen
cml.basissetlanl2dzen
cml.basisset6-31g(d,p)en
cml.basisset6-31gen
cml.multiplicity10en
cml.spintypeUnrestricteden
cml.shelltypeopenen
cml.charge-10en
cml.energy.value-7291.89649367en
cml.energy.unitsEhen
cml.formula.genericH3Co4O71W18V2en
cml.calculationtypeGeometry optimization Minimumen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:POMCo4 - DOI: 10.19061/iochem-bd-2-6



Please use this identifier to cite or link to this item: https://iochem-bd.urv.es/browse/handle/100/440

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