Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File  
W2+.comDownload
output.cmlDownload
Full metadata record
DC FieldValueLanguage
dc.contributor.authorKojasoy, Volga-
dc.coverage.spatialES Barcelona Barcelona-
dc.date.accessioned2021-01-09T18:08:58Z-
dc.date.available2022-04-04T00:58:00Z-
dc.date.created2021-01-09T19:08:56.664+01:00-
dc.date.issued2021-01-09T19:08:56.664+01:00-
dc.identifier.urihttps://iochem-bd.bsc.es/browse/handle/100/195176-
dc.descriptionW2-
dc.publisherBarcelona Supercomputing Center-
dc.rightsCC BY 4.0 (c) Barcelona Supercomputing Center, 2021-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectCopper-
dc.subjectRhodium-
dc.titleW2-
dc.typedataset-
dc.date.updated2021-01-09T18:08:58Z-
cml.program.nameGaussianen
cml.program.version16en
cml.program.otherES64L-G16RevC.01en
cml.methodUB3LYPen
cml.basissetGENECPen
cml.spintypeUnrestricteden
cml.calculationtypeSingle point Structureen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Indole_Onium_Ylides - DOI: 10.19061/iochem-bd-6-73



Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/195176

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