Concepedia

The effect of pore shape on hydrocarbon selectivity on UiO-66(Zr), HKUST-1 and MIL-125(Ti) metal organic frameworks: Insights from molecular simulations and chromatography

Naseem A. Ramsahye, Philippe Trens, Céline Shepherd, Philippe Gonzalez, Florence Ragon, Christian Serre

Microporous and Mesoporous Materials · 2013 · 65 citations · 43 references

DOI

Concepts

References

43

Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

Stefan Grimme · Journal of Computational Chemistry · 2006 · 30.8K citations

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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

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A New Zirconium Inorganic Building Brick Forming Metal Organic Frameworks with Exceptional Stability

J. Hafizovic, Søren Jakobsen, Unni Olsbye et al. · Journal of the American Chemical Society · 2008 · 7.2K citations

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DREIDING: a generic force field for molecular simulations

Stephen L. Mayo, Barry D. Olafson, William A. Goddard · The Journal of Physical Chemistry · 1990 · 6.5K citations

, , +15

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