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dc.contributor.authorHigham, Michael-
dc.date.accessioned2017-07-13T12:06:40Z-
dc.date.available2017-10-13T16:10:20Z-
dc.date.created2017-07-13T14:06:39.703+02:00-
dc.date.issued2017-07-13T14:06:39.703+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/5206-
dc.descriptioninitial-
dc.publisherETH Zurich-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2017-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title/Deacon/V initial-
dc.typedataset-
dc.date.updated2017-07-13T12:06:40Z-
cml.program.namevaspen
cml.program.version5.3.3en
cml.program.other18Dez12 (build Jan 31 2013 08:47:18) complexen
cml.shelltypeClosed shellen
cml.energy.value-889.63593506en
cml.energy.unitseVen
cml.formula.genericN/Aen
cml.calculationtypeGeometry optimizationen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:RuO2_C2H4_Oxychlorination - DOI: 10.19061/iochem-bd-1-38



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