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dc.contributor.authorStrugovshchikov, Evgenii-
dc.coverage.spatialES Tarragona-
dc.date.accessioned2024-03-01T11:37:45Z-
dc.date.available2024-03-01T11:37:45Z-
dc.date.created2024-03-01T12:37:43.968+01:00-
dc.date.issued2024-03-01T12:37:43.968+01:00-
dc.identifier.urihttps://iochem-bd.urv.es/browse/handle/100/1387-
dc.descriptionCOH in hollow position-
dc.publisherUniversitat Rovira i Virgili-
dc.publisherTotalEnergies OneTech Belgium, Feluy, Seneffe, Belgium-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-2-68-
dc.rightsCC BY 4.0 (c) Universitat Rovira i Virgili, 2024-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title/RWGS_on_NiCu/Adsorption_energies/Ni3Cu-100 COH-hollow-
dc.typedataset-
dc.date.updated2024-03-01T11:37:45Z-
cml.program.namevaspen
cml.program.version5.3.5en
cml.program.other31Mar14 (build Oct 30 2014 12:56:31) complexen
cml.methodDFTen
cml.shelltypeOpen shellen
cml.energy.value-175.94927025en
cml.energy.unitseVen
cml.formula.genericCHCu8Ni24Oen
cml.calculationtypeGeometry optimizationen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:RWGS_on_Ni_Cu - DOI: 10.19061/iochem-bd-2-68



Please use this identifier to cite or link to this item: https://iochem-bd.urv.es/browse/handle/100/1387

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