Concepedia

An explicit approach to conceptual density functional theory descriptors of arbitrary order

Farnaz Heidar‐Zadeh, M. G. Richer, Stijn Fias, Ramón Alain Miranda‐Quintana, Matthew Chan, Marco Franco‐Pérez, Cristina E. González‐Espinoza, Taewon David Kim, Caitlin Lanssens, Anand H. G. Patel,

Chemical Physics Letters · 2016 · 81 citations · 45 references

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Concepts

References

45

Absolute hardness: companion parameter to absolute electronegativity

Robert G. Parr, Ralph G. Pearson · Journal of the American Chemical Society · 1983 · 7.8K citations

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Density functional approach to the frontier-electron theory of chemical reactivity

Robert G. Parr, Weitao Yang · Journal of the American Chemical Society · 1984 · 3.6K citations

, , +8

Electronegativity: The density functional viewpoint

Robert G. Parr, Robert A. Donnelly, Mel Levy et al. · The Journal of Chemical Physics · 1978 · 3.4K citations

, , +12

Density-Functional Theory for Fractional Particle Number: Derivative Discontinuities of the Energy

John P. Perdew, Robert G. Parr, Mel Levy et al. · Physical Review Letters · 1982 · 3K citations

, , +13

Hardness, softness, and the fukui function in the electronic theory of metals and catalysis.

Robert G. Parr · Proceedings of the National Academy of Sciences · 1985 · 1.7K citations · Full text

, , +14