Concepedia

Molecular dynamics investigation of the self-diffusion of binary mixture diffusion in the metal-organic framework Zn(tbip) accounting for framework flexibility

Kompichit Seehamart, Christian Chmelik, Rajamani Krishna, S. Fritzsche

Microporous and Mesoporous Materials · 2011 · 10 citations · 21 references

DOI

Concepts

References

21

Transferable Potentials for Phase Equilibria. 1. United-Atom Description of <i>n</i>-Alkanes

Marcus G. Martin, J. Ilja Siepmann · The Journal of Physical Chemistry B · 1998 · 2.9K citations

, , +17

Molecular Dynamics Simulation: Elementary Methods

J. M. Haile, Ian Johnston, A. John Mallinckrodt et al. · Computers in Physics · 1993 · 1.3K citations · Full text

, , +8

Molecular Simulation of Carbon Dioxide/Methane/Hydrogen Mixture Adsorption in Metal−Organic Frameworks

Qingyuan Yang, Chongli Zhong · The Journal of Physical Chemistry B · 2006 · 562 citations

, , +17

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

Anastasios I. Skoulidas, David S. Sholl · The Journal of Physical Chemistry B · 2005 · 461 citations

, , +17

Describing the Diffusion of Guest Molecules Inside Porous Structures

Rajamani Krishna · The Journal of Physical Chemistry C · 2009 · 301 citations

, , +17