Origin of Enantioselectivity in a Chiral Metal–Organic Framework: A Molecular Simulation Study

2012 ◽  
Vol 116 (39) ◽  
pp. 20874-20881 ◽  
Author(s):  
Peyman Z. Moghadam ◽  
Tina Düren
Keyword(s):  
Molecular Simulation ◽  
Simulation Study ◽  
Metal Organic Framework ◽  
Metal Organic ◽  
Organic Framework

Effects of the side pockets on gas separation in metal-organic framework Cu-BTC: a molecular simulation study

2009 ◽  
Vol 35 (15) ◽  
pp. 1249-1255 ◽  
Author(s):  
Chunyu Xue ◽  
Qingyuan Yang ◽  
Chongli Zhong
Keyword(s):  
Molecular Simulation ◽  
Gas Separation ◽  
Simulation Study ◽  
Metal Organic Framework ◽  
Metal Organic ◽  
Organic Framework

3.Al-Based Metal-Organic Framework MFM-300 and MIL-160 for SO2 Capture: A Molecular Simulation Study

2021 ◽  
Vol 536 ◽  
pp. 112963
Author(s):  
Jia-Xiang Liu ◽  
Jie Li ◽  
Wen-Quan Tao ◽  
Zhuo Li
Keyword(s):  
Molecular Simulation ◽  
Simulation Study ◽  
Metal Organic Framework ◽  
So2 Capture ◽  
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

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

A Bio-Metal-Organic Framework for Highly Selective CO2 Capture: A Molecular Simulation Study

ChemSusChem ◽  
2010 ◽  
Vol 3 (8) ◽  
pp. 982-988 ◽  
Author(s):  
Yifei Chen ◽  
Jianwen Jiang
Keyword(s):  
Molecular Simulation ◽  
Co2 Capture ◽  
Simulation Study ◽  
Metal Organic Framework ◽  
Metal Organic ◽  
Organic Framework

Prediction of the Conditions for Breathing of Metal Organic Framework Materials Using a Combination of X-ray Powder Diffraction, Microcalorimetry, and Molecular Simulation

2008 ◽  
Vol 130 (38) ◽  
pp. 12808-12814 ◽  
Author(s):  
Philip L. Llewellyn ◽  
Guillaume Maurin ◽  
Thomas Devic ◽  
Sandra Loera-Serna ◽  
Nilton Rosenbach ◽  
...  
Keyword(s):  
Molecular Simulation ◽  
Powder Diffraction ◽  
Metal Organic Framework ◽  
X Ray ◽  
Framework Materials ◽  
Metal Organic ◽  
Organic Framework
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