1. Institute of Chemical Research of Catalonia
  2. López Research Group
  3. Statistical learning goes beyond the d-band model providing the thermochemistry of adsorbates on transition metals

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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.accessioned2017-06-21T16:02:35Z-
dc.date.available2019-10-17T08:03:28Z-
dc.date.created2017-06-21T18:02:34.16+02:00-
dc.date.issued2017-06-21T18:02:34.16+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/4279-
dc.descriptionO₂* on Ag-
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.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-43-
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.subjectPrincipal Component Analysis-
dc.subjectRuthenium-
dc.subjectCopper-
dc.subjectPalladium-
dc.subjectWater-
dc.subjectCadmium-
dc.subjectEthanol-
dc.subjectPlatinum-
dc.subjectReforming-
dc.subjectMethanol-
dc.subjectScaling-
dc.subjectGold-
dc.subjectBiomass-
dc.subjectZinc-
dc.subjectOsmium-
dc.subjectNickel-
dc.subjectHydrogen-
dc.subjectAdsorption-
dc.subjectIridium-
dc.subjectEthylene glycol-
dc.subjectSilver-
dc.subjectMicrokinetic-
dc.subjectRhodium-
dc.titleAg-0021-
dc.typedataset-
dc.date.updated2017-06-21T16:02:35Z-
cml.program.namevaspen
cml.program.version5.3.3en
cml.program.other18Dez12 (build Jan 17 2013 15:17:09) complexen
cml.shelltypeClosed shellen
cml.energy.value-135.32307615en
cml.energy.unitseVen
cml.formula.genericN/Aen
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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