Predicting the impact of functionalized ligands on CO2 adsorption in MOFs: A combined DFT and Grand Canonical Monte Carlo study

标题
Predicting the impact of functionalized ligands on CO2 adsorption in MOFs: A combined DFT and Grand Canonical Monte Carlo study
作者
关键词
-
出版物
MICROPOROUS AND MESOPOROUS MATERIALS
Volume 168, Issue -, Pages 225-238
出版商
Elsevier BV
发表日期
2012-10-13
DOI
10.1016/j.micromeso.2012.10.002

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