10.6084/m9.figshare.96336.v1
Henry S. Rzepa
Henry S.
Rzepa
Gaussian Job Archive for C2H8N2OS
figshare
2012
InChI=1S/CH3NO.CH5NS/c1-2-3-1;1-3-2/h2H,1H2;2H2,1H3
InChIKey=URMSYWNGZCEZLX-UHFFFAOYSA-N
C1NO1.S(C)N
C2H8N2OS
wb97xd/6-31g(d)
scrf=(cpcm,solvent=dichloromethane)
irc=(maxpoints=1
Organic Chemistry
2012-10-08 05:30:47
Dataset
https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C2H8N2OS/96336
Archive of work produced using the resources of the Imperial College High Performance Computing Service.