10.6084/m9.figshare.97166.v1
Henry S. Rzepa
Henry S.
Rzepa
Gaussian Job Archive for C2H4O
figshare
2012
InChI=1S/C2H4O/c1-2-3/h2H,1H3
InChIKey=IKHGUXGNUITLKF-UHFFFAOYSA-N
C(=O)C
C2H4O
rwb97xd/6-311G(d,p)
irc(calcfc,recalc=10,maxpoints=150,maxcycle=40,t
Organic Chemistry
2012-11-04 09:23:11
Dataset
https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C2H4O/97166
Archive of work produced using the resources of the Imperial College High Performance Computing Service.