10.6084/m9.figshare.96329.v1
Henry S. Rzepa
Henry S.
Rzepa
Gaussian Job Archive for C4H10O3S
figshare
2012
InChI=1S/C2H6S.C2H4.O3/c1-3-2;1-2;1-3-2/h1-2H3;1-2H2;
InChIKey=FEAZGUVGBAQISJ-UHFFFAOYSA-N
[O]O[O].S(C)C.C=C
C4H10O3S
rwb97xd/6-311g(d)
scrf(cpcm,solvent=dichloromethane)
integral=grid=u
Organic Chemistry
2012-10-06 07:19:27
Dataset
https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C4H10O3S/96329
Archive of work produced using the resources of the Imperial College High Performance Computing Service.