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Molecular building block-based electronic charges for highthroughput screening of MOFs for adsorption applications Edwin Argueta, Jeena Shaji, Arun Gopalan, Peilin Liao, Randall Q. Snurr, and Diego A Gomez-Gualdron J. Chem. Theory Comput., Just Accepted Manuscript • DOI: 10.1021/acs.jctc.7b00841 • Publication Date (Web): 11 Dec 2017 Downloaded from http://pubs.acs.org on December 14, 2017
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Journal of Chemical Theory and Computation is published by the American Chemical Society. 1155 Sixteenth Street N.W., Washington, DC 20036 Published by American Chemical Society. Copyright © American Chemical Society. However, no copyright claim is made to original U.S. Government works, or works produced by employees of any Commonwealth realm Crown government in the course of their duties.
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Journal of Chemical Theory and Computation
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