Evaluating Charge Equilibration Methods To Generate Electrostatic Fields in Nanoporous Materials

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Authors: Daniele Ongari, Peter G. Boyd, Ozge Kadioglu, Amber K. Mace, Seda Keskin, Berend Smit

Journal title: Journal of Chemical Theory and Computation

Journal number: 15/1

Journal publisher: American Chemical Society

Published year: 2018

Published pages: 382-401

DOI identifier: 10.1021/acs.jctc.8b00669

ISSN: 1549-9618