Concepedia

Polysiloxanes: ab initio force field and structural, conformational and thermophysical properties

Huai Sun, David L. Rigby

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 1997 · 299 citations · 49 references

DOI

Concepts

References

49

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

Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules

Loup Verlet · Physical Review · 1967 · 9.3K citations · Full text

, , +14

Statistical mechanics of chain molecules

Paul J. Flory, M.V. Volkenstein · Biopolymers · 1969 · 6.5K citations

, , +14

The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin

William L. Jorgensen, Julian Tirado‐Rives · Journal of the American Chemical Society · 1988 · 5K citations

, , +16

Optimized intermolecular potential functions for liquid hydrocarbons

William L. Jorgensen, Jeffry D. Madura, Carol J. Swenson · Journal of the American Chemical Society · 1984 · 2.3K citations

, , +13