Concepedia

A DFT based ligand field study of the EPR spectra of Co(II) and Cu(II) porphyrins

Mihail Atanasov, Claude Daul, Marie‐Madeleine Rohmer, Venkatachalam Tamilmani

Chemical Physics Letters · 2006 · 19 citations · 27 references

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References

27

Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

John P. Perdew, J. A. Chevary, S. H. Vosko et al. · Physical review. B, Condensed matter · 1992 · 22K citations

, , +16

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

Chemistry with ADF

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

, , +17

Relativistic regular two-component Hamiltonians

Erik van Lenthe, Evert Jan Baerends, J. G. Snijders · The Journal of Chemical Physics · 1993 · 4.4K citations

, , +11

Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximation

John P. Perdew · Physical review. B, Condensed matter · 1986 · 4.3K citations

, , +13