Multiscale Computational Study on the Adsorption and Separation of CO2/CH4and CO2/H2on Li+-Doped Mixed-Ligand Metal-Organic Framework Zn2(NDC)2(diPyNI)

ChemPhysChem ◽  
2016 ◽  
Vol 17 (24) ◽  
pp. 4124-4133 ◽  
Author(s):  
Vahid Sokhanvaran ◽  
Saeid Yeganegi
Keyword(s):  
Computational Study ◽  
Metal Organic Framework ◽  
Mixed Ligand ◽  
Metal Organic ◽  
Separation Of Co2 ◽  
Organic Framework

Experimental and computational study of ethane and ethylene adsorption in the MIL-53(Al) metal organic framework

2016 ◽  
Vol 230 ◽  
pp. 154-165 ◽  
Author(s):  
Rui P.P.L. Ribeiro ◽  
Bárbara C.R. Camacho ◽  
Andriy Lyubchyk ◽  
Isabel A.A.C. Esteves ◽  
Fernando J.A.L. Cruz ◽  
...  
Keyword(s):  
Computational Study ◽  
Metal Organic Framework ◽  
Ethylene Adsorption ◽  
Metal Organic ◽  
Organic Framework

Mixed-Ligand Metal–Organic Framework for Two-Photon Responsive Photocatalytic C–N and C–C Coupling Reactions

ACS Catalysis ◽  
2018 ◽  
Vol 9 (1) ◽  
pp. 422-430 ◽  
Author(s):  
Hanning Li ◽  
Yang Yang ◽  
Cheng He ◽  
Le Zeng ◽  
Chunying Duan
Keyword(s):  
Metal Organic Framework ◽  
Mixed Ligand ◽  
Coupling Reactions ◽  
Two Photon ◽  
Metal Organic ◽  
Organic Framework

A Solvothermally in Situ Generated Mixed-ligand Approach for NLO-Active Metal−Organic Framework Materials

2005 ◽  
Vol 44 (12) ◽  
pp. 4148-4150 ◽  
Author(s):  
Yong-Tao Wang ◽  
Hai-Hua Fan ◽  
He-Zhou Wang ◽  
Xiao-Ming Chen
Keyword(s):  
Metal Organic Framework ◽  
Mixed Ligand ◽  
Framework Materials ◽  
Active Metal ◽  
Metal Organic ◽  
Organic Framework

A computational study of the catalytic aerobic epoxidation of propylene over the coordinatively unsaturated metal–organic framework Fe3(btc)2: formation of propylene oxide and competing reactions

2018 ◽  
Vol 20 (9) ◽  
pp. 6726-6734 ◽  
Author(s):  
Thana Maihom ◽  
Montree Sawangphruk ◽  
Michael Probst ◽  
Jumras Limtrakul
Keyword(s):  
Propylene Oxide ◽  
Density Functional Calculations ◽  
Density Functional ◽  
Computational Study ◽  
Metal Organic Framework ◽  
Epoxidation Of Propylene ◽  
Metal Organic ◽  
Competing Reactions ◽  
Organic Framework

The aerobic epoxidation of propylene over the metal–organic framework Fe3(btc)2 (btc = 1,3,5-benzentricarboxylate) as catalyst has been investigated by means of density functional calculations.

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