Computational study of the general base catalysed aminolysis of 2-benzoxazolinone

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

Density-functional exchange-energy approximation with correct asymptotic behavior

Axel D. Becke · Physical review. A, General physics · 1988 · 53.5K citations

Natural Sciences, Chemistry, Physics +17

Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

S. H. Vosko, L. Wilk, Marwan Nusair · Canadian Journal of Physics · 1980 · 20.7K citations · Full text

Natural Sciences, Physics, Condensed Matter Physics +15

An improved algorithm for reaction path following

Carlos A. Gonzalez, H. Bernhard Schlegel · The Journal of Chemical Physics · 1989 · 6.1K citations

Natural Sciences, Chemistry, Computational Chemistry +9

Concerted mechanisms of acyl group transfer reactions in solution

Andrew Williams · Accounts of Chemical Research · 1989 · 173 citations

Natural Sciences, Chemistry, Analytical Chemistry +9