ioChem-BD Browse module - Item page

Item metadata and files

Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File Retrieve
atfms_9BBN_am.inDownload
output.cmlDownload
Full metadata record
DC FieldValueLanguage
dc.contributor.authorJover Modrego, Jesús-
dc.date.accessioned2021-10-01T07:49:19Z-
dc.date.available2021-10-01T07:49:19Z-
dc.date.created2021-10-01T09:49:18.391+02:00-
dc.date.issued2021-10-01T09:49:18.391+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/33648-
dc.descriptionatfms_9BBN_am-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-216-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2021-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titleatfms_9BBN_am-
dc.typedataset-
dc.date.updated2021-10-01T07:49:19Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherES64L-G09RevD.01en
cml.methodRB3LYPen
cml.basissetTZVPen
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-1192.26077870en
cml.energy.unitsEhen
cml.formula.genericC12H20BF3Sen
cml.calculationtypeGeometry optimization Minimumen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
Appears in Collections:RF_COOH - DOI: 10.19061/iochem-bd-1-216



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/33648

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