Concepedia

Molecular dynamics simulations of metal-organic frameworks as membranes for gas mixtures separation

Fredy A. Cabrales-Navarro, Jose L. Gómez-Ballesteros, Perla B. Balbuena

Journal of Membrane Science · 2012 · 50 citations · 34 references

DOI

Concepts

References

34

Molecular dynamics with coupling to an external bath

Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren et al. · The Journal of Chemical Physics · 1984 · 31K citations · Full text

, , +17

The missing term in effective pair potentials

Herman J. C. Berendsen, J. Raúl Grigera, Tjerk P. Straatsma · The Journal of Physical Chemistry · 1987 · 13.4K citations

, , +9

UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations

Anthony K. Rappé, C. J. Casewit, K. S. Colwell et al. · Journal of the American Chemical Society · 1992 · 10.4K citations

, , +14

Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules

Loup Verlet · Physical Review · 1967 · 9.3K citations · Full text

, , +14

Design and synthesis of an exceptionally stable and highly porous metal-organic framework

Hailian Li, Mohamed Eddaoudi, M. O’Keeffe et al. · Nature · 1999 · 8.4K citations · Full text

, , +7