%0 Generic %A Rzepa, Henry S. %D 2012 %T Gaussian Job Archive for C16H10N2O2 %U https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C16H10N2O2/103120 %R 10.6084/m9.figshare.103120.v1 %2 https://ndownloader.figshare.com/files/230658 %2 https://ndownloader.figshare.com/files/230659 %2 https://ndownloader.figshare.com/files/230660 %2 https://ndownloader.figshare.com/files/230661 %2 https://ndownloader.figshare.com/files/230662 %K InChI=1S/C16H10N2O2/c17-15(12-7-3-1-4-8-12)14(16(19)20)11-18-13-9-5-2-6-10-13/h1-10H %K InChIKey=YAYKCBISWGWCHW-UHFFFAOYSA-N %K C(=[N])([C](C(=O)[O])[C][N]c1ccccc1)c1ccccc1 %K C16H10N2O2 %K rwb97xd/6-311G(d,p) %K integral=grid=ultrafine %K stable %K Organic Chemistry %X Archive of work produced using the resources of the Imperial College High Performance Computing Service. %I figshare