Improving Predictions of Gas Adsorption in Metal–Organic Frameworks with Coordinatively Unsaturated Metal Sites: Model Potentials, ab initio Parameterization, and GCMC Simulations

标题
Improving Predictions of Gas Adsorption in Metal–Organic Frameworks with Coordinatively Unsaturated Metal Sites: Model Potentials, ab initio Parameterization, and GCMC Simulations
作者
关键词
-
出版物
Journal of Physical Chemistry C
Volume 116, Issue 35, Pages 18899-18909
出版商
American Chemical Society (ACS)
发表日期
2012-08-15
DOI
10.1021/jp3062527

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