Concepedia

Extraction desulfurization with mixed solvents of organic solvent + organic solvent or deep eutectic solvent as extractants: Liquid-liquid equilibrium experiments and molecular dynamics simulations

Jianlin Yan, Fei Luo, Yuezhan Du, Qian Yi, Xiaoyu Hao, Haojie Dong, Lanyi Sun

Fluid Phase Equilibria · 2022 · 23 citations · 44 references

DOI

Concepts

References

44

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

, , +13

Fast Parallel Algorithms for Short-Range Molecular Dynamics

Steven J. Plimpton · Journal of Computational Physics · 1995 · 44.6K citations

, , +10

Canonical dynamics: Equilibrium phase-space distributions

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

, , +14

Development and testing of a general amber force field

Junmei Wang, Romain M. Wolf, James W. Caldwell et al. · Journal of Computational Chemistry · 2004 · 19.6K citations

, , +17

A unified formulation of the constant temperature molecular dynamics methods

Shūichi Nosé · The Journal of Chemical Physics · 1984 · 18.9K citations · Full text

, , +15