figshare
Browse
1/1
5 files

Gaussian Job Archive for C18H30Br8

Download all (14.72 MB)
dataset
posted on 2015-11-14, 07:23 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=1/C18H31Br.3Br2.BrH/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9;3*1-2;/h10-12,15H,1-9H3;;;;1H/t12-,15-;;;;b3lyp/6-311++G(2d,2p)Freqopt(calcfc,ts,noeigentest)RB3LYP/6-311++G(2GenChktestSCRF=CheckGuess=TCheckGeom=AllCheck#NC18H30Br8C1=C(C(C)(C)C)C(Br)C(C(C)(C)C)=CC1C(C)(C)C.BrBr.BrBr.Br.BrBrInChIKey=FMEMBGDUKQJAHT-YYIMRXKPSA-Nscrf=(cpcm,solOrganic Chemistry

    Licence

    CC BY 4.0

    Exports

    RefWorks
    BibTeX
    Ref. manager
    Endnote
    DataCite
    NLM
    DC