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Manuscript title: Statistical learning goes beyond the d-band model providing the thermochemistry of adsorbates on transition metals

Journal: Nat. Commun.

DOI: 10.1038/s41467-019-12709-1

Full metadata record
DC FieldValueLanguage
dc.contributor.authorGarcía Muelas, Rodrigo-
dc.date.accessioned2019-11-26T15:39:23Z-
dc.date.available2019-11-26T15:39:23Z-
dc.date.created2019-11-26T16:39:19.772+01:00-
dc.date.issued2019-11-26T16:39:19.772+01:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/21590-
dc.descriptionH2O-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Statistical learning goes beyond the d-band model providing the thermochemistry of adsorbates on transition metals 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, 2019-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titleWater-
dc.typedataset-
dc.date.updated2019-11-26T15:39:23Z-
cml.program.namevaspen
cml.program.version5.3.2en
cml.program.other13Sep12 (build Oct 24 2012 13:28:27) complexen
cml.methodDFTen
cml.shelltypeClosed shellen
cml.energy.value-14.21877278en
cml.energy.unitseVen
cml.formula.genericH2Oen
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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