A theoretical study of some pseudo-π hydrogen-bonded complexes: cyclopropane·HCl and tetrahedrane·HCl

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

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

Natural Sciences, Chemistry, Physics +13

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

Natural Sciences, Chemistry, Physics +17

Calculation of the average properties of atoms in molecules. II

Friedrich Biegler‐König, Richard F. W. Bader, Ting‐Hua Tang · Journal of Computational Chemistry · 1982 · 1.3K citations

Natural Sciences, Chemistry, Physics +17

A Description of the Chemical Bond in Terms of Local Properties of Electron Density and Energy

Dieter Cremer, Elfi Kraka · Croatica Chemica Acta · 1984 · 654 citations

Natural Sciences, Chemistry, Physics +16

I. The properties of certain strained hydrocarbons

C. A. Coulson, W. Moffitt · The London Edinburgh and Dublin Philosophical Magazine and Journal of Science · 1949 · 355 citations

Natural Sciences, Chemistry, Physics +11