figshare
Browse
1/1
5 files

Gaussian Job Archive for C8H13ClN2O4

Download all (8.96 MB)
dataset
posted on 2015-11-28, 07:36 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/C8H13N2O4.Cl/c9-10-7-3-1-6(12)14-5(3)2-4(11)8(7)13;/h3-8,11-13H,1-2H2;/t3-,4-,5-,6-,7-,8-;/m1./s1InChIKey=FONNGUZMZSNFNR-YEIVJAOWSA-N[C@@H]1([C@H]([C@@H]([C@H]2[C@@H](C1)O[C@H](C2)O)[N][N])O)O.[Cl]C8H13ClN2O4IRC=(maxpoints=200,recalc=5,calcfc,maxcycle=40,tight,cartesian,lqa,sOrganic Chemistry

    Licence

    CC BY 4.0

    Exports

    RefWorks
    BibTeX
    Ref. manager
    Endnote
    DataCite
    NLM
    DC