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dc.contributor.authorMorales-Vidal, Jordi
dc.date.accessioned2025-09-15T10:35:13Z-
dc.date.available2025-10-19T11:34:25Z-
dc.date.created2025-09-15T12:34:47.821809+02:00
dc.date.issued2025-09-15T12:34:47.821809+02:00
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/103181-
dc.description.abstractAdsorption of butyramide on Ru surface
dc.publisherInstitute of Chemical Research of Catalonia
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2025
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.title/Butyramide Ru-amide
dc.typedataset
cml.program.namevasp
cml.program.version5.4.4
cml.program.other18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex
cml.methodDFT
cml.shelltypeClosed shell
cml.energy.value-1855.40025347
cml.energy.unitseV
cml.formula.genericC4H9NORu198
cml.calculationtypeGeometry optimization
cml.hassolventfalse
cml.hasvibrationalfrequenciesfalse
cml.numberofjobs1
cml.hasmolecularorbitalsfalse
Appears in Collections:RuNi_plastics - DOI: 10.19061/iochem-bd-1-361



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