Concepedia

Molecular simulations for adsorption and separation of thiophene and benzene in Cu-BTC and IRMOF-1 metal–organic frameworks

Yongping Zeng, Xiaomin Zhu, Yu Yuan, Xiaobin Zhang, Shengui Ju

Separation and Purification Technology · 2012 · 45 citations · 42 references

DOI

Concepts

References

42

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

Reticular synthesis and the design of new materials

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

, , +9

A Chemically Functionalizable Nanoporous Material [Cu <sub>3</sub> (TMA) <sub>2</sub> (H <sub>2</sub> O) <sub>3</sub> ] <sub> <i>n</i> </sub>

S.S.-Y. Chui, S.M.F. Lo, J.P.H. Charmant et al. · Science · 1999 · 6K citations

, , +17

The role of carbon materials in heterogeneous catalysis

F. Rodrı́guez-Reinoso · Carbon · 1998 · 1.7K citations

, , +14

Adsorbents: fundamentals and applications

Focus on Catalysts · 2004 · 1.3K citations

, , +10