Diffusion of Carbon Dioxide and Nitrogen in the Small‐Pore Titanium Bis(phosphonate) Metal–Organic Framework MIL‐91 (Ti): A Combination of Quasielastic Neutron Scattering Measurements and Molecular Dynamics Simulations

Metal Organic Framework ◽

Small Pore ◽

Scattering Measurements ◽

Quasielastic Neutron ◽

Metal Organic ◽

Diffusion of Binary CO2/CH4 Mixtures in the MIL-47(V) and MIL-53(Cr) Metal–Organic Framework Type Solids: A Combination of Neutron Scattering Measurements and Molecular Dynamics Simulations

The Journal of Physical Chemistry C ◽

10.1021/jp403225t ◽

2013 ◽

Vol 117 (21) ◽

pp. 11275-11284 ◽

Cited By ~ 37

Author(s):

Fabrice Salles ◽

Hervé Jobic ◽

Thomas Devic ◽

Vincent Guillerm ◽

Christian Serre ◽

...

Keyword(s):

Molecular Dynamics ◽

Neutron Scattering ◽

Metal Organic Framework ◽

Scattering Measurements ◽

Metal Organic ◽

Dynamics Simulations ◽

Diffusion of H2, CO2, and Their Mixtures in the Porous Zirconium Based Metal–Organic Framework MIL-140A(Zr): Combination of Quasi-Elastic Neutron Scattering Measurements and Molecular Dynamics Simulations

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.5b07253 ◽

2015 ◽

Vol 119 (42) ◽

pp. 23978-23989 ◽

Cited By ~ 21

Author(s):

M. Prakash ◽

H. Jobic ◽

N. A. Ramsahye ◽

F. Nouar ◽

D. Damasceno Borges ◽

...

Keyword(s):

Molecular Dynamics ◽

Neutron Scattering ◽

Metal Organic Framework ◽

Elastic Neutron ◽

Scattering Measurements ◽

Metal Organic ◽

Elastic Neutron Scattering ◽

Dynamics Simulations ◽

Transport Diffusivity of N2and CO2in Silicalite: Coherent Quasielastic Neutron Scattering Measurements and Molecular Dynamics Simulations

The Journal of Physical Chemistry B ◽

10.1021/jp049265g ◽

2004 ◽

Vol 108 (34) ◽

pp. 12748-12756 ◽

Cited By ~ 76

Author(s):

George K. Papadopoulos ◽

Hervé Jobic ◽

Doros N. Theodorou

Keyword(s):

Molecular Dynamics ◽

Neutron Scattering ◽

Scattering Measurements ◽

Quasielastic Neutron ◽

Transport Diffusivity ◽

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

Microporous and Mesoporous Materials ◽

10.1016/j.micromeso.2012.06.056 ◽

2012 ◽

Vol 164 ◽

pp. 259-265 ◽

Cited By ~ 24

Author(s):

S. Rives ◽

H. Jobic ◽

F. Ragon ◽

T. Devic ◽

C. Serre ◽

...

Keyword(s):

Molecular Dynamics ◽

Neutron Scattering ◽

Metal Organic Framework ◽

Metal Organic ◽

Dynamics Simulations ◽

Long Chain ◽

Formation of CH4 Hydrate in a Mesoporous Metal–Organic Framework MIL-101: Mechanistic Insights from Microsecond Molecular Dynamics Simulations

The Journal of Physical Chemistry Letters ◽

10.1021/acs.jpclett.9b02808 ◽

2019 ◽

Vol 10 (22) ◽

pp. 7002-7008 ◽

Cited By ~ 1

Author(s):

Zhongjin He ◽

Kang Zhang ◽

Jianwen Jiang

Keyword(s):

Molecular Dynamics ◽

Metal Organic Framework ◽

Metal Organic ◽

Dynamics Simulations ◽

Mesoporous Metal ◽

Self-Diffusion and Transport Diffusion of Light Gases in Metal-Organic Framework Materials Assessed Using Molecular Dynamics Simulations

The Journal of Physical Chemistry B ◽

10.1021/jp051771y ◽

2005 ◽

Vol 109 (33) ◽

pp. 15760-15768 ◽

Cited By ~ 310

Author(s):

Anastasios I. Skoulidas ◽

David S. Sholl

Keyword(s):

Molecular Dynamics ◽

Metal Organic Framework ◽

Self Diffusion ◽

Framework Materials ◽

Metal Organic ◽

Transport Diffusion ◽

Dynamics Simulations ◽

Dynamics of discotic methoxy triphenylene molecules from quasielastic neutron scattering and molecular dynamics simulations

Chemical Physics ◽

10.1016/s0301-0104(03)00083-1 ◽

2003 ◽

Vol 292 (2-3) ◽

pp. 185-190 ◽

Cited By ~ 10

Author(s):

G.J. Kearley ◽

F.M. Mulder ◽

S.J. Picken ◽

P.H.J. Kouwer ◽

J. Stride

Keyword(s):

Molecular Dynamics ◽

Neutron Scattering ◽

Quasielastic Neutron ◽

Self and Transport Diffusivity of CO2 in the Metal−Organic Framework MIL-47(V) Explored by Quasi-elastic Neutron Scattering Experiments and Molecular Dynamics Simulations

ACS Nano ◽

10.1021/nn901132k ◽

2009 ◽

Vol 4 (1) ◽

pp. 143-152 ◽

Cited By ~ 83

Author(s):

Fabrice Salles ◽

Hervé Jobic ◽

Thomas Devic ◽

Philip L. Llewellyn ◽

Christian Serre ◽

...

Keyword(s):

Molecular Dynamics ◽

Neutron Scattering ◽

Metal Organic Framework ◽

Elastic Neutron ◽

Metal Organic ◽

Transport Diffusivity ◽

Elastic Neutron Scattering ◽

Dynamics Simulations ◽

Dynamics of poly(ethylene oxide) in a blend with poly(methyl methacrylate): A quasielastic neutron scattering and molecular dynamics simulations study

Physical Review E ◽

10.1103/physreve.72.031808 ◽

2005 ◽

Vol 72 (3) ◽

Cited By ~ 67

Author(s):

A.-C. Genix ◽

A. Arbe ◽

F. Alvarez ◽

J. Colmenero ◽

L. Willner ◽

...

Keyword(s):

Molecular Dynamics ◽

Ethylene Oxide ◽

Methyl Methacrylate ◽

Neutron Scattering ◽

Quasielastic Neutron ◽

Poly Ethylene Oxide ◽

Poly Ethylene ◽

Molecular dynamics simulations of the removal of lead(II) from water using the UiO-66 metal-organic framework

Chemical Engineering Science ◽

10.1016/j.ces.2019.115396 ◽

2020 ◽

Vol 214 ◽

pp. 115396 ◽

Cited By ~ 3

Author(s):

Malak Wehbe ◽

Belal J. Abu Tarboush ◽

Mutasem Shehadeh ◽

Mohammad Ahmad

Keyword(s):

Molecular Dynamics ◽

Metal Organic Framework ◽

Metal Organic ◽

Dynamics Simulations ◽