ioChem-BD Browse module - Item page

Item metadata and files

Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File Retrieve
INCARDownload
output.cmlDownload
Full metadata record
DC FieldValueLanguage
dc.contributor.authorNaeem, Muhammad Saad-
dc.date.accessioned2025-02-24T15:25:55Z-
dc.date.available2025-07-17T10:26:29Z-
dc.date.created2025-02-24T15:25:49.662589Z-
dc.date.issued2025-02-24T15:25:49.662589Z-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/96680-
dc.descriptionbulk_Co-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-372-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2025-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titlebulk_Co-
dc.typedataset-
dc.date.updated2025-02-24T15:25:55Z-
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.energy.value-28.07583780en
cml.energy.unitseVen
cml.formula.genericCo4en
cml.calculationtypeGeometry optimizationen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:NiP_and_NiMP - DOI: 10.19061/iochem-bd-1-372



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/96680

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