figshare
Browse

Gaussian Job Archive for CO2

Download all (91.86 kB)
dataset
posted on 2016-02-22, 14:35 authored by Paul DingwallPaul Dingwall
Archive of work produced using the resources of the Imperial College High Performance Computing Service.

History

Usage metrics

    Categories

    Keywords

    InChI=1S/CO2/c2-1-3InChIKey=CURLTUGMZLYLDI-UHFFFAOYSA-NC(=O)=OCO2#NGeom=AllCheckGuess=TCheckSCRF=CheckGenChkRwB97XD/6-311G(d,p)Fropt(cartesian)freqwb97xd/6-311G(d,p)scrf=(cpcm,solvent=dichloromeOrganic Chemistry

    Licence

    CC BY 4.0

    Exports

    RefWorks
    BibTeX
    Ref. manager
    Endnote
    DataCite
    NLM
    DC