Effects of Force Field Selection on the Computational Ranking of MOFs for CO 2 Separations

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Authors: Derya Dokur, Seda Keskin

Journal title: Industrial & Engineering Chemistry Research

Journal number: 57/6

Journal publisher: American Chemical Society

Published year: 2018

Published pages: 2298-2309

DOI identifier: 10.1021/acs.iecr.7b04792

ISSN: 0888-5885