Concepedia

Molecular simulation of CO2/CH4 adsorption in brown coal: Effect of oxygen-, nitrogen-, and sulfur-containing functional groups

Yong Dang, Lianming Zhao, Xiaoqing Lü, Jing Xu, Pengpeng Sang, Sheng Guo, Houyu Zhu, Wenyue Guo

Applied Surface Science · 2017 · 157 citations · 76 references

DOI

Concepts

References

76

A new mixing of Hartree–Fock and local density-functional theories

Axel D. Becke · The Journal of Chemical Physics · 1993 · 16.4K citations

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<i>The Properties of Gases and Liquids</i>

Robert C. Reid, T. K. Sherwood, Robert E. Street · Physics Today · 1959 · 14.2K citations

, , +16

A New Two-Constant Equation of State

Ding‐Yu Peng, Donald B. Robinson · Industrial & Engineering Chemistry Fundamentals · 1976 · 12.8K citations

, , +4

UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations

Anthony K. Rappé, C. J. Casewit, K. S. Colwell et al. · Journal of the American Chemical Society · 1992 · 10.4K citations

, , +14

On a Theory of the van der Waals Adsorption of Gases

Stephen Brunauer, Lola S. Deming, W. Edwards Deming et al. · Journal of the American Chemical Society · 1940 · 4.8K citations

, , +12