Concepedia

Conceptual DFT analysis of the regioselectivity of 1,3-dipolar cycloadditions: nitrones as a case of study

Ramón Alain Miranda‐Quintana, Marco Martínez González, David Hernández‐Castillo, Luís A. Montero, Paul W. Ayers, Christophe Morell

Journal of Molecular Modeling · 2017 · 19 citations · 75 references

DOI

Concepts

References

75

<b>Hard and Soft Acids and Bases</b>

Ralph G. Pearson · Journal of the American Chemical Society · 1963 · 10.2K 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

Bonded-atom fragments for describing molecular charge densities

F. L. Hirshfeld · Theoretical Chemistry Accounts · 1977 · 6.9K citations

, , +14

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