TY - DATA T1 - Gaussian Job Archive for C7H13F3O5 PY - 2015/11/15 AU - Henry S. Rzepa UR - https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C7H13F3O5/1603088 DO - 10.6084/m9.figshare.1603088.v1 L4 - https://ndownloader.figshare.com/files/2440551 L4 - https://ndownloader.figshare.com/files/2440552 L4 - https://ndownloader.figshare.com/files/2440553 L4 - https://ndownloader.figshare.com/files/2440554 L4 - https://ndownloader.figshare.com/files/2440555 KW - InChI=1S/C5H9F3O3.C2H4O2/c6-5(7,8)4(1-9)2-11-3-10;1-2(3)4/h4,9-10H,1-3H2;1H3,(H,3,4)/t4-;/m1./s1 KW - InChIKey=IBTRPFIZWUJBIM-PGMHMLKASA-N KW - C([C@@H](CO)C(F)(F)F)OCO.OC(=O)C KW - C7H13F3O5 KW - IRC=(maxpoints=200,recalc=5,calcfc,maxcycle=40,tight,cartesian,lqa,s KW - Organic Chemistry N2 - Archive of work produced using the resources of the Imperial College High Performance Computing Service. ER -