S1 Supporting Information for Computational design of metal-organic frameworks for aniline recovery from aqueous solution Yuanlong Xiao, Qingyuan Yang,* Dahuan Liu* and Chongli Zhong State Key Laboratory of Organic-Inorganic Composites, Beijing University of Chemical Technology, Beijing 100029, China. * Corresponding authors. E-mail: qyyang@mail.buct.edu.cn, liudh@mail.buct.edu.cn Electronic Supplementary Material (ESI) for CrystEngComm This journal is © The Royal Society of Chemistry 2013