1. Institute of Chemical Research of Catalonia
  2. Bo Research Group
  3. Mechanistic Study on the Photochemical Formation of Hydrogen and Uranyl Peroxide

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Manuscript title: Unveiling a Photoinduced Hydrogen Evolution Reaction Mechanism via the Concerted Formation of Uranyl Peroxide

Journal: Inorg. Chem.

DOI: 10.1021/acs.inorgchem.0c00757

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DC FieldValueLanguage
dc.contributor.authorPetrus, Enric-
dc.date.accessioned2020-05-03T10:59:52Z-
dc.date.available2020-06-02T08:32:30Z-
dc.date.created2020-05-03T12:59:51.067+02:00-
dc.date.issued2020-05-03T12:59:51.067+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/24022-
dc.descriptionSuperoxide product (abbreviated as D-HB-OO/OH)-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.publisherUniversitat Roviri i Virgili-
dc.relationOriginal title: Unveiling a Photoinduced Hydrogen Evolution Reaction Mechanism via the Concerted Formation of Uranyl Peroxide DOI: 10.1021/acs.inorgchem.0c00757 Journal: Inorg. Chem.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-169-
dc.relation.urihttp://dx.doi.org/10.1021/acs.inorgchem.0c00757*
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2020-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectUranyl-
dc.subjectHydrogen Evolution Reaction-
dc.subjectActinides-
dc.subjectPhotochemistry-
dc.title3_u2o4_o2-
dc.typedataset-
dc.date.updated2020-05-03T10:59:52Z-
cml.program.nameADFen
cml.program.version2016en
cml.methodPBEen
cml.basissetTZPen
cml.multiplicity1en
cml.spintypeUNrestricteden
cml.charge0en
cml.formula.genericC20H20N6O12U2en
cml.calculationtypeGeometry optimizationen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Mechanistic Study on the Photochemical Formation of Hydrogen and Uranyl Peroxide - DOI: 10.19061/iochem-bd-1-169

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