10.14469/ch/190494Yong ZhangHenry S. Rzepa0000-0002-8635-8390James J. P. Stewart0000-0001-6280-8695Peter Murray-Rust0000-0003-3386-3972Matthew J. Harvey0000-0003-1797-3186Nicholas Mason0000-0001-9475-0328Andrew McLean0000-0002-1653-7430Imperial College High Performance Computing ServiceNSC143157Imperial College London2015InChI=1S/C6H5Cl2N5/c7-1-3-11-4-5(8)9-2-10-6(4)13-12-3/h2H,1H2,(H,11,12)(H,9,10,13)XWTAXMUVAQDHDU-UHFFFAOYSA-NImperial College LondonImperial College LondonYong ZhangHenry S. Rzepa0000-0002-8635-8390James J. P. Stewart0000-0001-6280-8695Peter Murray-Rust0000-0003-3386-3972Matthew J. Harvey0000-0003-1797-3186Nicholas Mason0000-0001-9475-0328Andrew McLean0000-0002-1653-74302015-02-242015-02-242015-02-24NSC143157NSC143157Clc1ncnc2NNC(CCl)=Nc1230855-42-610042/194773https://spectradspace.lib.imperial.ac.uk:8443/metadata/handle/10042/194773/mets.xmlhttps://spectradspace.lib.imperial.ac.uk:8443/metadata/handle/10042/194773/ore.xml10042/31117chemical/x-cmlCreative Commons Public Domain Dedication