Concepedia

Polar Diels–Alder reactions using electrophilic nitrobenzothiophenes. A combined experimental and DFT study

Claudia Della Rosa, Pedro Mancini, Marı́a N. Kneeteman, Anna Baena, Melisa A. Suligoy, Luís R. Domingo

Journal of Molecular Structure · 2014 · 31 citations · 48 references

DOI

Concepts

References

48

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

Natural population analysis

Alan E. Reed, Robert B. Weinstock, Frank Weinhold · The Journal of Chemical Physics · 1985 · 9.8K citations

, , +4

Ab initio molecular orbital theory

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

, , +5

Absolute hardness: companion parameter to absolute electronegativity

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

, , +6