Concepedia

Nonnegligible role of rigidity/flexibility for efficient CO2 separation in SILMs: A molecular dynamics simulation study

Timing Fang, Xiangshuai Meng, Guohui Zhou, Kun Jiang, Xiaomin Liu

International Journal of Heat and Mass Transfer · 2021 · 17 citations · 46 references

DOI

Concepts

References

46

VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations

, , +12

Fast Parallel Algorithms for Short-Range Molecular Dynamics

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

, , +10

Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids

William L. Jorgensen, David S. Maxwell, Julian Tirado‐Rives · Journal of the American Chemical Society · 1996 · 15.3K citations

, , +17

A molecular dynamics method for simulations in the canonical ensemble

Shūichi Nosé · Molecular Physics · 1984 · 10.1K citations

, , +15

Structure of Graphite Oxide Revisited

A. Lerf, Heyong He, Michael Förster et al. · The Journal of Physical Chemistry B · 1998 · 3.5K citations

, , +6