Concepedia

Carbon dioxide capture-related gas adsorption and separation in metal-organic frameworks

Jian‐Rong Li, Yuguang Ma, M. Colin McCarthy, Julian P. Sculley, Jiamei Yu, Hae‐Kwon Jeong, Perla B. Balbuena, Hong‐Cai Zhou

Coordination Chemistry Reviews · 2011 · 2K citations · 299 references

DOI

Concepts

References

299

Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

Stefan Grimme · Journal of Computational Chemistry · 2006 · 30.8K citations

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The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

Samuel Francis Boys, Fernando Bernardi · Molecular Physics · 1970 · 22K citations

, , +10

Computer Simulation of Liquids

S. P, K. J · Journal of Molecular Liquids · 1988 · 15.9K citations

, , +12

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

Note on an Approximation Treatment for Many-Electron Systems

CHR. KN. MØLLER, M. S. Plesset · Physical Review · 1934 · 14.6K citations

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