Concepedia

Atomistic insights into the effects of carbonyl oxygens in functionalized graphene nanopores on Ca2+/Na+ sieving

Nana Zhao, Jiawei Deng, Yudan Zhu, Yaojia Chen, Yao Qin, Yang Ruan, Yumeng Zhang, Qingwei Gao, Xiaohua Lü

Carbon · 2020 · 18 citations · 82 references

DOI

Concepts

References

82

VMD: Visual molecular dynamics

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

, , +12

Electric Field Effect in Atomically Thin Carbon Films

Kostya S. Novoselov, A. K. Geǐm, Da Jiang et al. · Science · 2004 · 66.1K citations · Full text

, , +17

Comparison of simple potential functions for simulating liquid water

William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura et al. · The Journal of Chemical Physics · 1983 · 42.1K citations

, , +17

A smooth particle mesh Ewald method

Ulrich Essmann, L. Perera, Max L. Berkowitz et al. · The Journal of Chemical Physics · 1995 · 22.9K citations

, , +13

Polymorphic transitions in single crystals: A new molecular dynamics method

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

, , +15