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dc.contributor.authorRellán, Marcos-
dc.date.accessioned2019-06-04T08:10:51Z-
dc.date.available2019-06-04T08:28:33Z-
dc.date.created2019-06-04T10:10:49.743+02:00-
dc.date.issued2019-06-04T10:10:49.743+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/20342-
dc.descriptionHydride and proton adsorbed on CeO2(111) surface-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2019-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titleCeO2_OH-HCe-
dc.typedataset-
dc.date.updated2019-06-04T08:10:51Z-
cml.program.namevaspen
cml.program.version5.4.4en
cml.program.other18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyen
cml.methodDFTen
cml.shelltypeOpen shellen
cml.energy.value-298.00257828en
cml.energy.unitseVen
cml.formula.genericH2Ce12O24en
cml.calculationtypeGeometry optimizationen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
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