Gaussian Job Archive for C3H6O2

Name: Gaussian Job Archive for C3H6O2
Published: 2013-02-21T10:11:01+00:00
Keywords: InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3, InChIKey=KXKVLQRXCPHEJC-UHFFFAOYSA-N, COC(=O)C, C3H6O2, Freq, rwb97xd/6-311G(d,p), integral=grid=ultrafine

dataset

posted on 21.02.2013, 10:11 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/to-11919
http://dx.doi.org/10042/23381
http://dx.doi.org/10042/23380
http://www.chemspider.com/Search.aspx?q=InChIKey=KXKVLQRXCPHEJC-UHFFFAOYSA-N
http://www.ncbi.nlm.nih.gov/pccompound?db=pccompound&term=InChIKey=KXKVLQRXCPHEJC-UHFFFAOYSA-N
http://www.ch.ic.ac.uk/rzepa/data-descriptors/

Usage metrics

Keywords

InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3 InChIKey=KXKVLQRXCPHEJC-UHFFFAOYSA-N COC(=O)C C3H6O2 Freq rwb97xd/6-311G(d,p)integral=grid=ultrafine

Licence

CC BY 4.0