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dc.contributor.authorChuong Nguyën, Huu-
dc.date.accessioned2020-02-05T20:08:33Z-
dc.date.available2020-04-27T11:18:51Z-
dc.date.created2020-02-05T21:08:31.087+01:00-
dc.date.issued2020-02-05T21:08:31.087+01:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/22850-
dc.descriptionAu100-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-167-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2020-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titleAu100-
dc.typedataset-
dc.date.updated2020-02-05T20:08:33Z-
cml.program.namevaspen
cml.program.version5.4.4en
cml.program.other18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexen
cml.methodDFTen
cml.shelltypeOpen shellen
cml.energy.value-8.82101284en
cml.energy.unitseVen
cml.formula.genericAu3en
cml.calculationtypeGeometry optimizationen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:PbAu - DOI: 10.19061/iochem-bd-1-167



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