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DC FieldValueLanguage
cml.program.namevaspen
cml.program.version5.4.4en
cml.program.other18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:58) gamma-onlyen
cml.methodDFTen
cml.shelltypeClosed shellen
cml.energy.value-547.89327976en
cml.energy.unitseVen
cml.formula.genericCHAu8Pb136O2en
cml.calculationtypeGeometry optimizationen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
cml.formula.smiles[PbH3][Au]1[PbH2][Au]123[PbH2][Au]214[PbH2][Au]2([PbH3])([PbH3])[Au]([PbH3])([PbH3])([PbH3])[PbH2][Au]21([PbH3])[PbH2][Au]34[PbH3].OC[Au].O[PbH3]en
cml.formula.smiles[PbH3][Au]1[PbH2][Au]123[PbH2][Au]214[PbH2][Au]2([PbH3])([PbH3])[Au]([PbH3])([PbH3])([PbH3])[PbH2][Au]21([PbH3])[PbH2][Au]34[PbH3].OC[Au].O[PbH3]en
dc.contributor.authorChuong Nguyën, Huu-
dc.contributor.otherInstitute of Chemical Research of Cataloniaen
dc.date.accessioned2020-04-27T11:17:32Z-
dc.date.accessioned2020-04-27T11:28:00Z-
dc.date.available2020-04-27T11:18:40Z-
dc.date.available2020-04-27T11:28:00Z-
dc.date.created2020-04-27T13:17:30.723+02:00-
dc.date.issued2020-04-27T13:17:30.723+02:00-
dc.identifier.urihttps://www.iochem-bd.org//handle/10/219918-
dc.descriptionCH on O of AuIsland-
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.titleCH_on_O_of_AuIsland-
dc.typedataset-
dc.date.updated2020-04-27T11:17:32Z-
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