Concepedia

Natural orbitals for chemical valence as descriptors of chemical bonding in transition metal complexes

Mariusz P. Mitoraj, Artur Michalak

Journal of Molecular Modeling · 2006 · 622 citations · 18 references

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References

18

Density-functional exchange-energy approximation with correct asymptotic behavior

Axel D. Becke · Physical review. A, General physics · 1988 · 53.5K citations

, , +17

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

Advanced inorganic chemistry

Choice Reviews Online · 1999 · 14.3K citations

, , +7

Chemistry with ADF

G. te Velde, F. Matthias Bickelhaupt, Evert Jan Baerends et al. · Journal of Computational Chemistry · 2001 · 10K citations

, , +17

Self-consistent molecular Hartree—Fock—Slater calculations I. The computational procedure

Evert Jan Baerends, D. E. Ellis, P. Ros · Chemical Physics · 1973 · 3.2K citations

, , +12