TY - DATA T1 - Gaussian Job Archive for C3H6O3W PY - 2012/10/09 AU - Henry S. Rzepa UR - https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C3H6O3W/96354 DO - 10.6084/m9.figshare.96354.v1 L4 - https://ndownloader.figshare.com/files/100551 L4 - https://ndownloader.figshare.com/files/100552 L4 - https://ndownloader.figshare.com/files/100553 L4 - https://ndownloader.figshare.com/files/100554 L4 - https://ndownloader.figshare.com/files/100555 KW - InChI=1S/C3H3.3H2O.W/c1-3-2;;;;/h1-3H;3*1H2;/q;;;;+3/p-3 KW - InChIKey=ZJXRGJCZRHCYLA-UHFFFAOYSA-K KW - [CH]1[W](C=C1)(O)(O)O KW - C3H6O3W KW - irc=(maxpoints=150,calcall,maxcycle=40,tight,lqa,stepsize=8) KW - wb97xd/ KW - Organic Chemistry N2 - Archive of work produced using the resources of the Imperial College High Performance Computing Service. ER -