Concepedia

Prediction of viscosities and vapor–liquid equilibria for five polyhydric alcohols by molecular simulation

Manish S. Kelkar, Jake L. Rafferty, Edward J. Maginn, J. Ilja Siepmann

Fluid Phase Equilibria · 2007 · 81 citations · 54 references

DOI

Concepts

References

54

Computer Simulation of Liquids

S. P, K. J · Journal of Molecular Liquids · 1988 · 15.9K citations

, , +12

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

Wendy D. Cornell, Piotr Cieplak, Christopher I. Bayly et al. · Journal of the American Chemical Society · 1995 · 13.1K citations

, , +17

Nosé–Hoover chains: The canonical ensemble via continuous dynamics

Glenn Martyna, Michael L. Klein, Mark E. Tuckerman · The Journal of Chemical Physics · 1992 · 5.8K citations

, , +16

Reversible multiple time scale molecular dynamics

Mark E. Tuckerman, B. J. Berne, Glenn Martyna · The Journal of Chemical Physics · 1992 · 3.6K citations

, , +14

Dynamics of Polymeric Liquids

M. G. Brereton · Physics Bulletin · 1978 · 3.3K citations

, , +17