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dc.contributor.authorRellán, Marcos-
dc.date.accessioned2019-09-18T19:04:55Z-
dc.date.available2023-01-16T12:20:08Z-
dc.date.created2019-09-18T21:04:54.275+02:00-
dc.date.issued2019-09-18T21:04:54.275+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/21150-
dc.descriptionstructure-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2019-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title/F2F_20th-September-2019_ETH//F2F_20th-September-2019_ETH Au_CeO2 TS_DMC_diss_Au111CeO2-
dc.typedataset-
dc.date.updated2019-09-18T19:04:55Z-
cml.program.namevaspen
cml.program.version5.4.4en
cml.program.other18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyen
cml.methodDFTen
cml.shelltypeClosed shellen
cml.energy.value-1511.01172728en
cml.energy.unitseVen
cml.formula.genericC3H6Ce54Au36O111en
cml.calculationtypeImproved Dimer Methoden
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Covestro - DOI: 10.19061/iochem-bd-1-135



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