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Manuscript title: Statistical learning predicts the thermochemistry of adsorbed species on transition metals beyond the d-band model

Journal: Nat. Commun.

DOI: 10.1038/s41467-019-12709-1

Full metadata record
DC FieldValueLanguage
dc.contributor.authorGarcía Muelas, Rodrigo-
dc.date.accessioned2017-11-28T09:41:44Z-
dc.date.available2019-10-17T08:06:19Z-
dc.date.created2017-11-28T10:41:42.701+01:00-
dc.date.issued2017-11-28T10:41:42.701+01:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/6474-
dc.descriptionCCHOH* on subsurface Ni in Zn-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Statistical learning predicts the thermochemistry of adsorbed species on transition metals beyond the d-band model DOI: 10.1038/s41467-019-12709-1 Journal: Nat. Commun.*
dc.relation.urihttp://dx.doi.org/10.1038/s41467-019-12709-1*
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2017-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titless-ZnNi-2215-
dc.typedataset-
dc.date.updated2017-11-28T09:41:43Z-
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-138.57704253en
cml.energy.unitseVen
cml.formula.genericC2H2Ni12OZn36en
cml.calculationtypeGeometry optimizationen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Statistical learning goes beyond the d-band model providing the thermochemistry of adsorbates on transition metals - DOI: 10.19061/iochem-bd-1-43



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