Parr’s index to describe both electrophilicity and nucleophilicity

Density-functional theory of atoms and molecules

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

Natural Sciences, Chemistry, Physics +12

Electrophilicity Index

Robert G. Parr, László von Szentpály, Shubin Liu · Journal of the American Chemical Society · 1999 · 7.3K citations

Natural Sciences, Chemistry, Organic Chemistry +3

Role of Frontier Orbitals in Chemical Reactions

Kenichi Fukui · Science · 1982 · 2.7K citations

Natural Sciences, Chemistry, Physical Chemistry +13

A Molecular Orbital Theory of Reactivity in Aromatic Hydrocarbons

Kenichi Fukui, Teijiro Yonezawa, Haruo Shingu · The Journal of Chemical Physics · 1952 · 2.3K citations · Full text

Natural Sciences, Chemistry, Physical Chemistry +16

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

Natural Sciences, Chemistry, Materials Science +14