Concepedia

Structural characteristics and transport behavior of triptycene-based PIMs membranes: A combination study using ab initio calculation and molecular simulations

Yirui Chen, Liang‐Hsun Chen, Kai‐Shiun Chang, Tzu-Hao Chen, Yi‐Feng Lin, Kuo‐Lun Tung

Journal of Membrane Science · 2016 · 48 citations · 60 references

References

60

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

Natural Sciences, Chemistry, Physics +17

Canonical dynamics: Equilibrium phase-space distributions

William G. Hoover · Physical review. A, General physics · 1985 · 23.3K citations

Natural Sciences, Physics, Dynamical Systems +14

COMPASS: An ab Initio Force-Field Optimized for Condensed-Phase ApplicationsOverview with Details on Alkane and Benzene Compounds

Huai Sun · The Journal of Physical Chemistry B · 1998 · 5.9K citations

Natural Sciences, Chemistry, Physics +17

The upper bound revisited

Lloyd M. Robeson · Journal of Membrane Science · 2008 · 5.8K citations

Natural Sciences, Mathematics, Theory Of Computation +5

Correlation of separation factor versus permeability for polymeric membranes

Lloyd M. Robeson · Journal of Membrane Science · 1991 · 3.4K citations

Engineering, Chemical Engineering, Materials Science +13