Concepedia

Diels–Alder reactions of N-tosylpirroles developed in protic ionic liquids. Theoretical studies using DFT methods

Claudia Della Rosa, Carla M. Ormachea, Marı́a N. Kneeteman, Claudia G. Adam, Pedro Mancini

Tetrahedron Letters · 2011 · 29 citations · 20 references

DOI

Concepts

References

20

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

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

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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

Self-Consistent Equations Including Exchange and Correlation Effects

W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text

, , +15

Density-functional theory of atoms and molecules

James D. Patterson · Annals of Nuclear Energy · 1989 · 12.6K citations

, , +12

Ab initio molecular orbital theory

Warren J. Hehre · Accounts of Chemical Research · 1976 · 7.9K citations

, , +5