UiO-66 (Zr) MOF as a Promising Material for Butane Isomers Separation: Evidence Based on the Analysis of the Adsorbed Alkanes Mobility by 2H NMR and Molecular Dynamics Simulation

2021 ◽  
Author(s):  
Alexander E. Khudozhitkov ◽  
Sergei S. Arzumanov ◽  
Daniil I. Kolokolov ◽  
Alexander G. Stepanov
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Promising Material ◽  
Evidence Based ◽  
2H Nmr ◽  
Butane Isomers

Collective Dynamics of Molecular Rotors in Periodic Mesoporous Organosilica: A combined Solid-State 2H-NMR and Molecular Dynamics Simulation Study.

2021 ◽  
Author(s):  
Antonio De Nicola ◽  
Andrea Correa ◽  
Silvia Bracco ◽  
Jacopo Perego ◽  
Piero Sozzani ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Solid State ◽  
Simulation Study ◽  
Dynamics Simulation ◽  
Molecular Rotors ◽  
2H Nmr ◽  
Periodic Mesoporous Organosilica ◽  
Collective Dynamics ◽  
Mesoporous Organosilica

Molecular rotors offer a platform to realize controlled dynamics and modulate functions of solids. Motional mechanisms in arrays of rotors have not been explored in depth. Crystal-like porous organosilicas, comprising...

scholarly journals 2H-NMR Study and Molecular Dynamics Simulation of the Location, Alignment, and Mobility of Pyrene in POPC Bilayers

2005 ◽  
Vol 88 (3) ◽  
pp. 1818-1827 ◽  
Author(s):  
Barbara Hoff ◽  
Erik Strandberg ◽  
Anne S. Ulrich ◽  
D. Peter Tieleman ◽  
Clemens Posten
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
2H Nmr ◽  
Nmr Study
Sign in / Sign up

Export Citation Format

Share Document