TY - DATA T1 - Gaussian Job Archive for C2H4O PY - 2012/11/04 AU - Henry S. Rzepa UR - https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C2H4O/97166 DO - 10.6084/m9.figshare.97166.v1 L4 - https://ndownloader.figshare.com/files/142883 L4 - https://ndownloader.figshare.com/files/142884 L4 - https://ndownloader.figshare.com/files/142885 L4 - https://ndownloader.figshare.com/files/142886 L4 - https://ndownloader.figshare.com/files/142887 KW - InChI=1S/C2H4O/c1-2-3/h2H,1H3 KW - InChIKey=IKHGUXGNUITLKF-UHFFFAOYSA-N KW - C(=O)C KW - C2H4O KW - rwb97xd/6-311G(d,p) KW - irc(calcfc,recalc=10,maxpoints=150,maxcycle=40,t KW - Organic Chemistry N2 - Archive of work produced using the resources of the Imperial College High Performance Computing Service. ER -