The Role of Partial Atomic Charge Assignment Methods on the Computational Screening of Metal-Organic Frameworks for CO2 Capture under Humid Conditions
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Title
The Role of Partial Atomic Charge Assignment Methods on the Computational Screening of Metal-Organic Frameworks for CO2
Capture under Humid Conditions
Authors
Keywords
-
Journal
ChemistrySelect
Volume 2, Issue 29, Pages 9458-9465
Publisher
Wiley
Online
2017-10-16
DOI
10.1002/slct.201701934
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