figshare
Browse
1/1
5 files

Gaussian Job Archive for C6H10O2 - 104285

Download all (372.04 kB)
dataset
posted on 2015-11-17, 16:02 authored by Charles RomainCharles Romain

JobID: 104285

 

Archive of work produced using the resources of the Imperial College High Performance Computing Service.

History

Usage metrics

    Categories

    Keywords

    InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2scrf=(cpcm,solvent=dichloromethane)optFreqRwB97XD/6-31G(d)GenChkSCRF=CheckGuess=TCheckGeom=AllCheck#NC6H10O2O1C(=O)CCCCC1InChIKey=PAPBSGBWRJIAAV-UHFFFAOYSA-NtemperOrganic Chemistry

    Licence

    CC BY 4.0

    Exports

    RefWorks
    BibTeX
    Ref. manager
    Endnote
    DataCite
    NLM
    DC