Concepedia

Enhanced proton-transfer activity in imidazole@MIL-53(Al) systems revealed by molecular-dynamics simulations

Emanuel Eisbein, Jan‐Ole Joswig, Gotthard Seifert

Microporous and Mesoporous Materials · 2015 · 12 citations · 36 references

DOI

Concepts

References

36

Reticular synthesis and the design of new materials

Omar M. Yaghi, M. O’Keeffe, N.W. Ockwig et al. · Nature · 2003 · 9K citations

, , +9

Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties

Marcus Elstner, D. Porezag, G. Jungnickel et al. · Physical review. B, Condensed matter · 1998 · 4.1K citations

, , +17

Metal–organic frameworks: a new class of porous materials

Jesse L. C. Rowsell, Omar M. Yaghi · Microporous and Mesoporous Materials · 2004 · 2.9K citations

, , +9

Construction of tight-binding-like potentials on the basis of density-functional theory: Application to carbon

D. Porezag, Thomas Frauenheim, Th. Köhler et al. · Physical review. B, Condensed matter · 1995 · 2.2K citations

, , +17

A Rationale for the Large Breathing of the Porous Aluminum Terephthalate (MIL‐53) Upon Hydration

Thierry Loiseau, Christian Serre, Clarisse Huguenard et al. · Chemistry - A European Journal · 2004 · 2.1K citations

, , +16