%0 Generic %A Rzepa, Henry S. %D 2012 %T Gaussian Job Archive for C3H11NO3 %U https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C3H11NO3/95991 %R 10.6084/m9.figshare.95991.v1 %2 https://ndownloader.figshare.com/files/99982 %2 https://ndownloader.figshare.com/files/99983 %2 https://ndownloader.figshare.com/files/99984 %2 https://ndownloader.figshare.com/files/99985 %2 https://ndownloader.figshare.com/files/99986 %K InChI=1S/C3H6O.H3NO.H2O/c1-3(2)4;1-2;/h1-2H3;2H,1H2;1H2 %K InChIKey=KUEGTPSBZLHUGA-UHFFFAOYSA-N %K C(=O)(C)C.O.ON %K C3H11NO3 %K rwb97xd/6-311G(d,p) %K scrf(cpcm,solvent=water) %K integral=grid=ultrafine %K Organic Chemistry %X Archive of work produced using the resources of the Imperial College High Performance Computing Service. %I figshare