Concepedia

Ionic liquids with hydrogenated and perfluorinated chains: Structural study of the [P6,6,6,14][FnCOO] n = 7, 9, 11. Checking the existence of polar – hydrogenated – perfluorinated triphilic continuity

Gonçalo M.C. Silva, Maria J. Beira, Pedro Morgado, Luı́s C. Branco, Pedro J. Sebastião, José N. Canongia Lopes, Eduardo J. M. Filipe

Journal of Molecular Liquids · 2022 · 11 citations · 59 references

DOI

Concepts

References

59

Particle mesh Ewald: An <i>N</i>⋅log(<i>N</i>) method for Ewald sums in large systems

Tom Darden, Darrin M. York, Lee G. Pedersen · The Journal of Chemical Physics · 1993 · 30.7K citations · Full text

, , +13

Canonical dynamics: Equilibrium phase-space distributions

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

, , +14

Polymorphic transitions in single crystals: A new molecular dynamics method

Michele Parrinello, A. Rahman · Journal of Applied Physics · 1981 · 20.2K citations

, , +15

GROMACS: Fast, flexible, and free

David van der Spoel, Erik Lindahl, Berk Hess et al. · Journal of Computational Chemistry · 2005 · 19.1K citations

, , +17

A molecular dynamics method for simulations in the canonical ensemble

Shūichi Nosé · Molecular Physics · 1984 · 10.1K citations

, , +15