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Manuscript title: Controlling the speciation and reactivity of carbon-supported gold nanostructures for catalysed acetylene hydrochlorination

Journal: Chem. Sci.

DOI: 10.1039/C8SC03186J

Full metadata record
DC FieldValueLanguage
dc.contributor.authorFako, Edvin-
dc.date.accessioned2018-07-16T11:57:22Z-
dc.date.available2018-11-24T08:17:27Z-
dc.date.created2018-07-16T13:57:20.728+02:00-
dc.date.issued2018-07-16T13:57:20.728+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/10002-
dc.descriptioneketo-s4-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Controlling the speciation and reactivity of carbon-supported gold nanostructures for catalysed acetylene hydrochlorination DOI: 10.1039/C8SC03186J Journal: Chem. Sci.*
dc.relation.urihttp://dx.doi.org/10.1039/C8SC03186J*
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2018-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titleEdge_CO@O_AuCl-
dc.typedataset-
dc.date.updated2018-07-16T11:57:22Z-
cml.program.namevaspen
cml.program.version5.4.4en
cml.program.other18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexen
cml.methodDFTen
cml.shelltypeClosed shellen
cml.energy.value-2357.09077621en
cml.energy.unitseVen
cml.formula.genericC246ClAuO12en
cml.calculationtypeGeometry optimizationen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Au_NC_hydrochlorination



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