ioChem-BD Browse module - Item page

Item metadata and files

Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File Retrieve
CONTCARDownload
INCARDownload
output.cmlDownload
Full metadata record
DC FieldValueLanguage
dc.contributor.authorMorales-Vidal, Jordi-
dc.date.accessioned2025-01-08T08:44:46Z-
dc.date.available2025-01-08T10:13:21Z-
dc.date.created2025-01-08T09:44:45.046716+01:00-
dc.date.issued2025-01-08T09:44:45.046716+01:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/96411-
dc.descriptionAdsorption of heptane on RuNi-c 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/Heptane-cleavage/RuNi-c RuNi-c-C7-
dc.typedataset-
dc.date.updated2025-01-08T08:44:46Z-
cml.program.namevaspen
cml.program.version5.4.4en
cml.program.other18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexen
cml.methodDFTen
cml.shelltypeOpen shellen
cml.formula.genericC7H16Ni108Ru90en
cml.calculationtypeGeometry optimizationen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:RuNi_plastics - DOI: 10.19061/iochem-bd-1-361



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/96411

Item files in Browse  Creative Commons License
HTML5 resume (see conditions inside)Creative Commons License