Diffusion of long chain n-alkanes in the metal–organic framework MIL-47(V): A combination of neutron scattering experiments and molecular dynamics simulations

2012 ◽  
Vol 164 ◽  
pp. 259-265 ◽  
Author(s):  
S. Rives ◽  
H. Jobic ◽  
F. Ragon ◽  
T. Devic ◽  
C. Serre ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Neutron Scattering ◽  
Molecular Dynamics Simulations ◽  
Metal Organic Framework ◽  
Metal Organic ◽  
Dynamics Simulations ◽  
Long Chain ◽  
Organic Framework

Anharmonic Origin of Giant Thermal Displacements in the Metal-Organic Framework UiO-67

2017 ◽  
Author(s):  
Katrine Svane ◽  
Jessica Bristow ◽  
Aron Walsh
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Metal Organic Framework ◽  
Thermal Displacements ◽  
Metal Organic ◽  
Dynamics Simulations ◽  
Organic Framework

Molecular dynamics simulations investigating the torsion of the BPDC linker in UiO-67 and IRMOF-10.

Anharmonic Origin of Giant Thermal Displacements in the Metal-Organic Framework UiO-67

2017 ◽  
Author(s):  
Katrine Svane ◽  
Jessica Bristow ◽  
Aron Walsh
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Metal Organic Framework ◽  
Thermal Displacements ◽  
Metal Organic ◽  
Dynamics Simulations ◽  
Organic Framework

Molecular dynamics simulations investigating the torsion of the BPDC linker in UiO-67 and IRMOF-10.

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