Origins of CH4/CO2 Adsorption Selectivity in Zeolitic Imidazolate Frameworks: A van der Waals Density Functional Study

2013 ◽  
Vol 117 (28) ◽  
pp. 14642-14651 ◽  
Author(s):  
Keith G. Ray ◽  
David L. Olmsted ◽  
Yao Houndonougbo ◽  
Brian B. Laird ◽  
Mark Asta
Keyword(s):  
Density Functional ◽  
Co2 Adsorption ◽  
Van Der Waals ◽  
Functional Study ◽  
Zeolitic Imidazolate Frameworks ◽  
Adsorption Selectivity ◽  
Density Functional Study ◽  
Co2 Adsorption Selectivity

scholarly journals van der Waals density functional study of CO2binding in zeolitic imidazolate frameworks

2012 ◽  
Vol 85 (8) ◽  
Author(s):  
Keith G. Ray ◽  
David Olmsted ◽  
Ning He ◽  
Yao Houndonougbo ◽  
Brian B. Laird ◽  
...  
Keyword(s):  
Density Functional ◽  
Van Der Waals ◽  
Functional Study ◽  
Zeolitic Imidazolate Frameworks ◽  
Density Functional Study

scholarly journals Potassium intercalation in graphite: A van der Waals density-functional study

2007 ◽  
Vol 76 (15) ◽  
Author(s):  
Eleni Ziambaras ◽  
Jesper Kleis ◽  
Elsebeth Schröder ◽  
Per Hyldgaard
Keyword(s):  
Density Functional ◽  
Van Der Waals ◽  
Functional Study ◽  
Density Functional Study

Density functional study of 1,3,5-trinitro-1,3,5-triazine molecular crystal with van der Waals interactions

2010 ◽  
Vol 132 (9) ◽  
pp. 094106 ◽  
Author(s):  
Fuyuki Shimojo ◽  
Zhongqing Wu ◽  
Aiichiro Nakano ◽  
Rajiv K. Kalia ◽  
Priya Vashishta
Keyword(s):  
Molecular Crystal ◽  
Density Functional ◽  
Van Der Waals ◽  
Van Der Waals Interactions ◽  
Functional Study ◽  
Density Functional Study
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