TRENDS IN THE PROPERTIES OF SELECTED METAL-ORGANIC FRAMEWORK STRUCTURES: A THEORETICAL STUDY

2009 ◽  
Author(s):  
AGNIESZKA KUC ◽  
JAN-OLE JOSWIG ◽  
ANDREY ENYASHIN ◽  
GOTTHARD SEIFERT
Keyword(s):  
Theoretical Study ◽  
Metal Organic Framework ◽  
Metal Organic ◽  
Organic Framework

H3O2 Bridging Ligand in a Metal–Organic Framework. Insight into the Aqua-Hydroxo↔Hydroxyl Equilibrium: A Combined Experimental and Theoretical Study

2013 ◽  
Vol 135 (15) ◽  
pp. 5782-5792 ◽  
Author(s):  
Richard F. D’Vries ◽  
Victor A. de la Peña-O’Shea ◽  
Natalia Snejko ◽  
Marta Iglesias ◽  
Enrique Gutiérrez-Puebla ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Metal Organic Framework ◽  
Bridging Ligand ◽  
Metal Organic ◽  
Insight Into ◽  
Organic Framework

Exceptional H2 sorption characteristics in a Mg2+-based metal–organic framework with small pores: insights from experimental and theoretical studies

2016 ◽  
Vol 18 (3) ◽  
pp. 1786-1796 ◽  
Author(s):  
Tony Pham ◽  
Katherine A. Forrest ◽  
Eduardo H. L. Falcão ◽  
Juergen Eckert ◽  
Brian Space
Keyword(s):  
Theoretical Study ◽  
Metal Organic Framework ◽  
Theoretical Studies ◽  
Metal Organic ◽  
Experimental And Theoretical Studies ◽  
Sorption Characteristics ◽  
Organic Framework

A combined experimental and theoretical study of H2 sorption in α-[Mg3(O2CH)6] revealed a number of different sorption sites with distinct rotational tunnelling transitions.

Bipyridine-Based Nanosized Metal–Organic Framework with Tunable Luminescence by a Postmodification with Eu(III): An Experimental and Theoretical Study

2013 ◽  
Vol 117 (21) ◽  
pp. 11302-11310 ◽  
Author(s):  
Ying-Ya Liu ◽  
Roel Decadt ◽  
Thomas Bogaerts ◽  
Karen Hemelsoet ◽  
Anna M. Kaczmarek ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Metal Organic Framework ◽  
Metal Organic ◽  
Organic Framework

scholarly journals Metal–Organic Framework Breathing in the Electric Field: A Theoretical Study

2019 ◽  
Vol 123 (16) ◽  
pp. 10333-10338 ◽  
Author(s):  
Andrei L. Kolesnikov ◽  
Yury A. Budkov ◽  
Jens Möllmer ◽  
Michael G. Kiselev ◽  
Roger Gläser
Keyword(s):  
Electric Field ◽  
Theoretical Study ◽  
Metal Organic Framework ◽  
Metal Organic ◽  
Organic Framework

Theoretical study of carbon dioxide adsorption and diffusion in MIL-127(Fe) metal organic framework

2017 ◽  
Vol 491 ◽  
pp. 118-125 ◽  
Author(s):  
Pavee Pongsajanukul ◽  
Vudhichai Parasuk ◽  
Siegfried Fritzsche ◽  
Suttichai Assabumrungrat ◽  
Suwimol Wongsakulphasatch ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Theoretical Study ◽  
Metal Organic Framework ◽  
Carbon Dioxide Adsorption ◽  
Metal Organic ◽  
And Diffusion ◽  
Organic Framework
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