figshare
Browse
1/1
5 files

Gaussian Job Archive for C6H6Br8

Download all (8.57 MB)
dataset
posted on 2015-04-26, 06:16 authored by Henry S. RzepaHenry S. Rzepa
Archive of work produced using the resources of the Imperial College High Performance Computing Service.

History

Usage metrics

    Categories

    Keywords

    InChI=1S/C6H6.4Br2/c1-2-4-6-5-3-1;4*1-2/h1-6H;;;;InChIKey=NOYGKVFOANDLGY-UHFFFAOYSA-Nc1ccccc1.BrBr.BrBr.BrBr.BrBrC6H6Br8IRC=(maxpoints=130,recalc=5,calcfc,maxcycle=40,tight,cartesian,lqa,sOrganic Chemistry

    Licence

    CC BY 4.0

    Exports

    RefWorks
    BibTeX
    Ref. manager
    Endnote
    DataCite
    NLM
    DC