scholarly journals In Silico Discovery of High Deliverable Capacity Metal–Organic Frameworks

2014 ◽  
Vol 119 (1) ◽  
pp. 186-195 ◽  
Author(s):  
Yi Bao ◽  
Richard L. Martin ◽  
Cory M. Simon ◽  
Maciej Haranczyk ◽  
Berend Smit ◽  
...  
Keyword(s):  
In Silico ◽  
Metal Organic Frameworks ◽  
Metal Organic

scholarly journals In Silico Screening of Metal–Organic Frameworks for Adsorption-Driven Heat Pumps and Chillers

2018 ◽  
Vol 10 (32) ◽  
pp. 27074-27087 ◽  
Author(s):  
Máté Erdős ◽  
Martijn F. de Lange ◽  
Freek Kapteijn ◽  
Othonas A. Moultos ◽  
Thijs J. H. Vlugt
Keyword(s):  
In Silico ◽  
Metal Organic Frameworks ◽  
Heat Pumps ◽  
In Silico Screening ◽  
Metal Organic

In silico screening of 4764 computation-ready, experimental metal–organic frameworks for CO2 separation

2016 ◽  
Vol 4 (6) ◽  
pp. 2105-2114 ◽  
Author(s):  
Zhiwei Qiao ◽  
Kang Zhang ◽  
Jianwen Jiang
Keyword(s):  
In Silico ◽  
Metal Organic Frameworks ◽  
Co2 Separation ◽  
In Silico Screening ◽  
Metal Organic

We screened 4764 metal–organic frameworks and identified the best candidates for CO2 separation.

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