Concepedia

Bonding and solvation preferences of nickel complexes [Ni(S2PR2)2] (R=H, Me, OMe) according a natural bond orbital analysis

Alexis Otero-Calvis, Gabriel Aullón, Santiago Álvarez, Luís A. Montero, Wolf‐Dieter Stohrer

Journal of Molecular Structure THEOCHEM · 2006 · 13 citations · 30 references

DOI

Concepts

References

30

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

, , +13

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 100.1K citations

, , +17

Density-functional exchange-energy approximation with correct asymptotic behavior

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

, , +17

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

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

, , +11

<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals

P. Jeffrey Hay, Willard R. Wadt · The Journal of Chemical Physics · 1985 · 15.5K citations

, , +15