%0 Generic %A Rzepa, Henry S. %D 2012 %T Gaussian Job Archive for C9H13F3O3S %U https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C9H13F3O3S/96981 %R 10.6084/m9.figshare.96981.v1 %2 https://ndownloader.figshare.com/files/102584 %2 https://ndownloader.figshare.com/files/102585 %2 https://ndownloader.figshare.com/files/102586 %2 https://ndownloader.figshare.com/files/102587 %2 https://ndownloader.figshare.com/files/102588 %K InChI=1S/C8H13.CF3O3S/c1-7-5-3-4-6-8(7)2;2-1(3,4)8(5,6)7/h3H,4-6H2,1-2H3; %K InChIKey=OJONDLBWUYRBMP-UHFFFAOYSA-N %K C1(=C(C[CH]CC1)C)C.S(=O)(=O)(C(F)(F)F)[O] %K C9H13F3O3S %K irc(calcfc,maxpoints=150,maxcycle=40,tight,cartesian,recalc=5,stepsi %K Organic Chemistry %X Archive of work produced using the resources of the Imperial College High Performance Computing Service. %I figshare