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

标题
Force Field Development from Periodic Density Functional Theory Calculations for Gas Separation Applications Using Metal–Organic Frameworks
作者
关键词
-
出版物
Journal of Physical Chemistry C
Volume 120, Issue 23, Pages 12590-12604
出版商
American Chemical Society (ACS)
发表日期
2016-05-26
DOI
10.1021/acs.jpcc.6b03393

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