Role of partial charge assignment methods in high-throughput screening of MOF adsorbents and membranes for CO 2 /CH 4 separation

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Authors: Cigdem Altintas, Seda Keskin

Journal title: Molecular Systems Design & Engineering

Journal number: 5/2

Journal publisher: RSC

Published year: 2020

Published pages: 532-543

DOI identifier: 10.1039/c9me00163h

ISSN: 2058-9689