A Computational Study of Isopropyl Alcohol Adsorption and Diffusion in UiO-66 Metal–Organic Framework: The Role of Missing Linker Defect

2021 ◽  
Author(s):  
Shanshan Wang ◽  
Madeleine C. Oliver ◽  
Yao An ◽  
Enyi Chen ◽  
Zhibin Su ◽  
...  
Keyword(s):  
Isopropyl Alcohol ◽  
Computational Study ◽  
Metal Organic Framework ◽  
Metal Organic ◽  
And Diffusion ◽  
Alcohol Adsorption ◽  
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

scholarly journals Hydrogenation of CO2 to Methanol by Pt Nanoparticles Encapsulated in UiO-67: Deciphering the Role of the Metal–Organic Framework

2019 ◽  
Vol 142 (2) ◽  
pp. 999-1009 ◽  
Author(s):  
Emil S. Gutterød ◽  
Andrea Lazzarini ◽  
Torstein Fjermestad ◽  
Gurpreet Kaur ◽  
Maela Manzoli ◽  
...  
Keyword(s):  
Metal Organic Framework ◽  
Pt Nanoparticles ◽  
Hydrogenation Of Co2 ◽  
Metal Organic ◽  
Organic Framework

Adsorption and Diffusion of Ethyl Acetate on the Chromium-Based Metal–Organic Framework MIL-101

2011 ◽  
Vol 56 (8) ◽  
pp. 3419-3425 ◽  
Author(s):  
Jiao Shi ◽  
Zhenxia Zhao ◽  
Qibin Xia ◽  
Yingwei Li ◽  
Zhong Li
Keyword(s):  
Ethyl Acetate ◽  
Metal Organic Framework ◽  
Metal Organic ◽  
And Diffusion ◽  
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.

Uncovering the Role of Metal–Organic Framework Topology on the Capture and Reactivity of Chemical Warfare Agents

2020 ◽  
Vol 32 (11) ◽  
pp. 4609-4617 ◽  
Author(s):  
Florencia A. Son ◽  
Megan C. Wasson ◽  
Timur Islamoglu ◽  
Zhijie Chen ◽  
Xinyi Gong ◽  
...  
Keyword(s):  
Metal Organic Framework ◽  
Chemical Warfare Agents ◽  
Chemical Warfare ◽  
Warfare Agents ◽  
Metal Organic ◽  
Organic Framework
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