TY - DATA T1 - Gaussian Job Archive for C7H3MnO6 PY - 2012/11/04 AU - Henry S. Rzepa UR - https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C7H3MnO6/97164 DO - 10.6084/m9.figshare.97164.v1 L4 - https://ndownloader.figshare.com/files/142877 L4 - https://ndownloader.figshare.com/files/142878 L4 - https://ndownloader.figshare.com/files/142879 L4 - https://ndownloader.figshare.com/files/142880 L4 - https://ndownloader.figshare.com/files/142881 KW - InChI=1S/C2H3O.5CO.Mn/c1-2-3;5*1-2;/h1H3;;;;;; KW - InChIKey=HSHGZSOJMSYWAG-UHFFFAOYSA-N KW - [Mn]([C][O])(C(=O)C)([C][O])([C][O])[C][O].[C]=O KW - C7H3MnO6 KW - irc(calcall,maxpoints=150,maxcycle=40,tight,cartesian,stepsize=10) KW - w KW - Organic Chemistry N2 - Archive of work produced using the resources of the Imperial College High Performance Computing Service. ER -