figshareBrowse
downloadDownload file
downloadDownload file
downloadDownload file
downloadDownload file
downloadDownload file
1/1
5 files

Gaussian Job Archive for C9H25NO3

Download all (14.06 MB)
dataset
posted on 2013-05-09, 05:45 authored by Henry S. RzepaHenry S. Rzepa
Archive of work produced using the resources of the Imperial College High Performance Computing Service.

History

References

  • http://www.ch.ic.ac.uk/rzepa/rzepa.xrdf
  • http://www.imperial.ac.uk/ict/services/teachingandresearchservices/highperformancecomputing
  • http://dx.doi.org/10042/24566
  • http://dx.doi.org/10042/24570
  • http://www.chemspider.com/Search.aspx?q=InChIKey=IVGOABJNCDMFQE-ZRVYWVIDSA-N
  • http://www.ncbi.nlm.nih.gov/pccompound?term=InChIKey=IVGOABJNCDMFQE-ZRVYWVIDSA-N
  • http://www.ch.ic.ac.uk/rzepa/data-descriptors/

Usage metrics

Categories

  • Organic chemistry not elsewhere classified

Keywords

InChI=1S/C4H12N.C3H6O.CH4O.CH3O/c1-5(2,3)4;1-3-2-4-3;2*1-2/h1-4H3;3H,2H2,1H3;2H,1H3;1H3/t;3-;;/m.0../s1InChIKey=IVGOABJNCDMFQE-ZRVYWVIDSA-NC[O].[C@@H]1(CO1)C.OC.C[N](C)(C)CC9H25NO3irc(calcfc,recalc=4,maxpoints=200,maxcycle=40,tight,stepsize=10,cartOrganic Chemistry

Licence

CC BY 4.0CC BY 4.0

Exports

AboutFeaturesToolsBlogKnowledgeContactHelpPrivacy PolicyCookie PolicyTermsSitemap
facebook pagetwitter pagevimeo page
figshare. credit for all your research.
Digital ScienceChronopolisDataCiteCOPEData Citation IndexOpen Access