TY - RPRT TI - Computational Screening of Cationic Zeolites for n -Butane/Methane Separations Using Quantitatively Accurate First-Principles-Derived Force Fields AU - Fang, Hanjun AU - Daou, Alan S.S. AU - Boulfelfel, Salah Eddine AU - Findley, John M. AU - Ravikovitch, Peter I. AU - Sholl, David S. PY - 2023 DO - 10.1021/acs.jpcc.3c06115 UR - https://www.osti.gov/biblio/2251605 ID - 2251605 ER -