Force Field Development from Periodic Density Functional Theory Calculations for Gas Separation Applications Using Metal–Organic Frameworks

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Title
Force Field Development from Periodic Density Functional Theory Calculations for Gas Separation Applications Using Metal–Organic Frameworks
Authors
Keywords
-
Journal
Journal of Physical Chemistry C
Volume 120, Issue 23, Pages 12590-12604
Publisher
American Chemical Society (ACS)
Online
2016-05-26
DOI
10.1021/acs.jpcc.6b03393

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