Atomic Property Weighted Radial Distribution Functions Descriptors of Metal–Organic Frameworks for the Prediction of Gas Uptake Capacity

2013 ◽  
Vol 117 (27) ◽  
pp. 14095-14105 ◽  
Author(s):  
Michael Fernandez ◽  
Nicholas R. Trefiak ◽  
Tom K. Woo
Keyword(s):  
Radial Distribution ◽  
Metal Organic Frameworks ◽  
Distribution Functions ◽  
Radial Distribution Functions ◽  
Uptake Capacity ◽  
Gas Uptake ◽  
Atomic Property ◽  
Metal Organic

Significant enhancement of gas uptake capacity and selectivity via the judicious increase of open metal sites and Lewis basic sites within two polyhedron-based metal–organic frameworks

2016 ◽  
Vol 52 (15) ◽  
pp. 3223-3226 ◽  
Author(s):  
Bing Liu ◽  
Shuo Yao ◽  
Chao Shi ◽  
Guanghua Li ◽  
Qisheng Huo ◽  
...  
Keyword(s):  
High Performance ◽  
Metal Organic Frameworks ◽  
High Density ◽  
Significant Enhancement ◽  
Uptake Capacity ◽  
Gas Uptake ◽  
Basic Sites ◽  
Open Metal Sites ◽  
Metal Organic

Two novel PMOFs with a high density of OMSs and LBSs were assembled using the SBB strategy and exhibited a high performance for CO2 capture and separation towards CO2, C2H6 and C3H8 over CH4.

Microporous metal–organic frameworks with open metal sites and π-Lewis acidic pore surfaces for recovering ethylene from polyethylene off-gas

2018 ◽  
Vol 6 (42) ◽  
pp. 20822-20828 ◽  
Author(s):  
Yingxiang Ye ◽  
Zhenlin Ma ◽  
Liangji Chen ◽  
Haizhen Lin ◽  
Quanjie Lin ◽  
...  
Keyword(s):  
Metal Organic Frameworks ◽  
Uptake Capacity ◽  
Gas Uptake ◽  
Open Metal Sites ◽  
Metal Organic

By employing electron-deficient ligands to fabricate MOFs, we could not only improve gas uptake capacity, but also stabilize the framework robustness.

Obtaining Normalized Atomic Radial Distribution Functions from EELFS Spectra

1997 ◽  
Vol 7 (C2) ◽  
pp. C2-577-C2-578 ◽  
Author(s):  
D. V. Surnin ◽  
D. E. Denisov ◽  
Yu. V. Ruts ◽  
P. M. Knjazev
Keyword(s):  
Radial Distribution ◽  
Distribution Functions ◽  
Radial Distribution Functions ◽  
Atomic Radial Distribution

Radial distribution functions of liquid Na and Cs

Physica B+C ◽  
1978 ◽  
Vol 93 (1) ◽  
pp. 59-62 ◽  
Author(s):  
T. Lee ◽  
J. Bisschop ◽  
W. van der Lugt ◽  
W.F. Van Gunsteren
Keyword(s):  
Radial Distribution ◽  
Distribution Functions ◽  
Radial Distribution Functions
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