%0 Generic %A Rzepa, Henry S. %D 2012 %T Gaussian Job Archive for C5H4O3 %U https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C5H4O3/97665 %R 10.6084/m9.figshare.97665.v1 %2 https://ndownloader.figshare.com/files/223979 %2 https://ndownloader.figshare.com/files/223980 %2 https://ndownloader.figshare.com/files/223981 %2 https://ndownloader.figshare.com/files/223982 %2 https://ndownloader.figshare.com/files/223983 %K InChI=1S/C4H4O2.CO/c1-4(6)2-3-5;1-2/h2H,1H3; %K InChIKey=SISVBSTUASYTGH-UHFFFAOYSA-N %K C(=O)(C)[CH][C][O].[C]=O %K C5H4O3 %K irc(maxpoints=250,maxcycle=40,calcfc,recalc=4,maxcycle=40,tight,step %K Organic Chemistry %X Archive of work produced using the resources of the Imperial College High Performance Computing Service. %I figshare