title: Development of computational methodologies for metal-organic frameworks and their application in gas separations.
authors.affiliation: Laboratory of Computational Chemistry and State Key Laboratory of Organic-Inorganic Composites, Beijing University of Chemical Technology , Beijing 100029, China.
authors.forename: Qingyuan
authors.initials: Q
authors.lastname: Yang
authors.forename: Dahuan
authors.initials: D
authors.lastname: Liu
authors.forename: Chongli
authors.initials: C
authors.lastname: Zhong
authors.forename: Jian-Rong
authors.initials: JR
authors.lastname: Li