ioChem-BD Browse module - Item page

Item metadata and files

Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File Retrieve
XI_sp_basisset.inDownload
output.cmlDownload
Referenced by:

Manuscript title: Synthesis of Trienes by Rhodium-Catalyzed Assembly and Disassembly of Non-Acceptor Cyclopropanes

Journal: ACS Catal.

DOI: 10.1021/acscatal.0c00006

Full metadata record
DC FieldValueLanguage
dc.contributor.authorGarcía, Cristina-
dc.date.accessioned2020-02-22T18:58:34Z-
dc.date.available2020-02-22T18:58:34Z-
dc.date.created2020-02-22T19:58:32.874+01:00-
dc.date.issued2020-02-22T19:58:32.874+01:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/23101-
dc.descriptionXI_sp_basisset-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Synthesis of Trienes by Rhodium-Catalyzed Assembly and Disassembly of Non-Acceptor Cyclopropanes DOI: 10.1021/acscatal.0c00006 Journal: ACS Catal.-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-153-
dc.relation.urihttp://dx.doi.org/10.1021/acscatal.0c00006-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2020-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titleXI_sp_basisset-
dc.typedataset-
dc.date.updated2020-02-22T18:58:34Z-
cml.program.nameGaussianen
cml.program.version09en
cml.methodRB3LYPen
cml.basissetGENECPen
cml.spintypeRestricteden
cml.energy.value-3061.2202663en
cml.energy.unitsEhen
cml.formula.genericC25.0H22.0F12.0O9.0Rh2.0en
cml.calculationtypeSingle point Structureen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Paper - DOI: 10.19061/iochem-bd-1-153



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/23101

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