Charge distribution in metal organic framework materials: transferability to a preliminary molecular simulation study of the CO2adsorption in the MIL-53 (Al) system

2007 ◽  
Vol 9 (9) ◽  
pp. 1059-1063 ◽  
Author(s):  
N. A. Ramsahye ◽  
G. Maurin ◽  
S. Bourrelly ◽  
P. Llewellyn ◽  
T Loiseau ◽  
...  
Keyword(s):  
Molecular Simulation ◽  
Charge Distribution ◽  
Simulation Study ◽  
Metal Organic Framework ◽  
Framework Materials ◽  
Metal Organic ◽  
Organic Framework

Probing adsorption sites of carbon dioxide in metal organic framework of [Zn(bdc)(dpds)] n : A molecular simulation study

2017 ◽  
Vol 497 ◽  
pp. 1-9 ◽  
Author(s):  
Shih-I Lu ◽  
Jian-Min Liao ◽  
Xiao-Zhuang Huang ◽  
Chia-Hsun Lin ◽  
Szu-Yu Ke ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Molecular Simulation ◽  
Simulation Study ◽  
Metal Organic Framework ◽  
Adsorption Sites ◽  
Metal Organic ◽  
Organic Framework
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