Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File  
INCARDownload
output.cmlDownload
Referenced by:

Manuscript title: Nanostructuring unlocks high performance of platinum single-atom catalysts for stable vinyl chloride production

Journal: Nature Catalysis

DOI: 10.1038/s41929-020-0431-3

Full metadata record
DC FieldValueLanguage
dc.contributor.authorFako, Edvin-
dc.date.accessioned2019-09-18T12:49:38Z-
dc.date.available2020-03-02T16:15:56Z-
dc.date.created2019-09-18T14:49:36.506+02:00-
dc.date.issued2019-09-18T14:49:36.506+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/20911-
dc.descriptionmech_hydrochlorination-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Nanostructuring unlocks high performance of platinum single-atom catalysts for stable vinyl chloride production DOI: 10.1038/s41929-020-0431-3 Journal: Nature Catalysis*
dc.relation.urihttp://dx.doi.org/10.1038/s41929-020-0431-3*
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2019-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titleads_din3-PtCl-ac-
dc.typedataset-
dc.date.updated2019-09-18T12:49:38Z-
cml.program.namevaspen
cml.program.version5.4.4en
cml.program.other18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexen
cml.methodDFTen
cml.shelltypeOpen shellen
cml.energy.value-2024.35892172en
cml.energy.unitseVen
cml.formula.genericC214H2ClN3Pten
cml.calculationtypeGeometry optimizationen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Pt_vs_Au_single_atoms_@N_doped_graphite



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/20911

Item files in Browse  Creative Commons License
HTML5 resume (see conditions inside)Creative Commons License