%0 Generic %A Rzepa, Henry S. %D 2012 %T Gaussian Job Archive for C9H18O6 %U https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C9H18O6/97734 %R 10.6084/m9.figshare.97734.v1 %2 https://ndownloader.figshare.com/files/224076 %2 https://ndownloader.figshare.com/files/224077 %2 https://ndownloader.figshare.com/files/224078 %2 https://ndownloader.figshare.com/files/224079 %2 https://ndownloader.figshare.com/files/224080 %K InChI=1S/C9H18O6/c1-7(2,10)12-14-9(5,6)15-13-8(3,4)11/h1-6H3 %K InChIKey=YFELZLLCOPCRAO-UHFFFAOYSA-N %K C(OOC(OOC([O])(C)C)(C)C)([O])(C)C %K C9H18O6 %K opt(calcall,ts,noeigentest) %K rwb97xd/6-31g(d,p) %K Organic Chemistry %X Archive of work produced using the resources of the Imperial College High Performance Computing Service. %I figshare