Molecular Building Block-Based Electronic Charges for High-Throughput Screening of Metal–Organic Frameworks for Adsorption Applications

Published 2017 View Full Article

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Title
Molecular Building Block-Based Electronic Charges for High-Throughput Screening of Metal–Organic Frameworks for Adsorption Applications
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 14, Issue 1, Pages 365-376
Publisher
American Chemical Society (ACS)
Online
2017-12-12
DOI
10.1021/acs.jctc.7b00841

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