%0 Generic %A Rzepa, Henry S. %D 2012 %T Gaussian Job Archive for C9H18O6 %U https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C9H18O6/97749 %R 10.6084/m9.figshare.97749.v1 %2 https://ndownloader.figshare.com/files/224147 %2 https://ndownloader.figshare.com/files/224148 %2 https://ndownloader.figshare.com/files/224149 %2 https://ndownloader.figshare.com/files/224150 %2 https://ndownloader.figshare.com/files/224151 %K InChI=1S/C9H18O6/c1-7(2)10-12-8(3,4)14-15-9(5,6)13-11-7/h1-6H3 %K InChIKey=ZTLXICJMNFREPA-UHFFFAOYSA-N %K C1(OOC(OOC(OO1)(C)C)(C)C)(C)C %K C9H18O6 %K rwb97xd/6-31g(d,p) %K irc=(maxpoints=150,calcfc,recalc=5,maxcycle=40,ti %K Organic Chemistry %X Archive of work produced using the resources of the Imperial College High Performance Computing Service. %I figshare