Concepedia

Structure analysis of intercalated layer silicates: combination of molecular simulations and experiment

Milan Pospı́šil, Alena Kalendová, Pavla Čapková, Marta Valášková

Journal of Colloid and Interface Science · 2004 · 45 citations · 25 references

DOI

Concepts

References

25

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

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

Charge equilibration for molecular dynamics simulations

Anthony K. Rappé, William A. Goddard · The Journal of Physical Chemistry · 1991 · 3.4K citations

, , +10

Polypropylene/Montmorillonite Nanocomposites. Review of the Synthetic Routes and Materials Properties

Evangelos Manias, Ahmed H. Touny, Limin Wu et al. · Chemistry of Materials · 2001 · 903 citations

, , +17

Acceleration of convergence for lattice sums

Naoki Karasawa, William A. Goddard · The Journal of Physical Chemistry · 1989 · 463 citations

, , +5