Concepedia

Density functional study of SO2 adsorption in HY zeolites

Alexey M. Shor, Folke Nörtemann, Markus Staufer, Ilya V. Yudanov, Notker Rösch

Journal of Molecular Structure THEOCHEM · 1999 · 16 citations · 35 references

DOI

Concepts

References

35

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

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Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

S. H. Vosko, L. Wilk, Marwan Nusair · Canadian Journal of Physics · 1980 · 20.7K citations · Full text

, , +15

Density-functional approximation for the correlation energy of the inhomogeneous electron gas

John P. Perdew · Physical review. B, Condensed matter · 1986 · 18.7K citations

, , +11

Practical optimization

Reuven R. Levary · European Journal of Operational Research · 1982 · 4.2K citations

The performance of a family of density functional methods

Benny G. Johnson, Peter M. W. Gill, John A. Pople · The Journal of Chemical Physics · 1993 · 1.9K citations

, , +17