ioChem-BD Browse module - Item page

Item metadata and files

Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File Retrieve
output.cmlDownload
INCARDownload
Full metadata record
DC FieldValueLanguage
dc.contributor.authorBenzidi, Hind
dc.date.accessioned2026-02-03T17:24:04Z-
dc.date.available2026-11-03T07:52:25Z-
dc.date.created2026-02-03T18:22:53.553636+01:00
dc.date.issued2026-02-03T18:22:53.553636+01:00
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/113857-
dc.description.abstractRb_atom
dc.description.sponsorshipInstitute of Chemical Research of Catalonia
dc.publisherInstitute of Chemical Research of Catalonia
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2026
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.title/Au_proj_VASP/Rb_atom Rb_atom
dc.typedataset
cml.program.namevasp
cml.program.version6.4.2
cml.program.other20Jul23 (build Apr 19 2024 10:32:06) complex
cml.methodDFT
cml.shelltypeOpen shell
cml.energy.value-0.18609002
cml.energy.unitseV
cml.formula.genericRb
cml.calculationtypeSingle point
cml.hassolventfalse
cml.hasvibrationalfrequenciesfalse
cml.numberofjobs1
cml.hasmolecularorbitalsfalse
Appears in Collections:Au_oda project - DOI: 10.19061/iochem-bd-1-415



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/113857

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