DFT study of the reactivity of methane and dioxygen with d10-L2M complexes

Self-Consistent Equations Including Exchange and Correlation Effects

W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text

Natural Sciences, Physics, Condensed Matter Physics +15

Relativistic compact effective potentials and efficient, shared-exponent basis sets for the third-, fourth-, and fifth-row atoms

Walter J. Stevens, Morris Krauss, Harold Basch et al. · Canadian Journal of Chemistry · 1992 · 2.2K citations · Full text

Natural Sciences, Chemistry, Physics +16

Looking for Stable Carbenes:  The Difficulty in Starting Anew

Anthony J. Arduengo · Accounts of Chemical Research · 1999 · 1.2K citations

Natural Sciences, Chemistry, Analytical Chemistry +5

Synthesis, Characterization, and Catalytic Activity of <i>N</i>-Heterocyclic Carbene (NHC) Palladacycle Complexes

Mihai S. Viciu, Roy A. Kelly, Edwin D. Stevens et al. · Organic Letters · 2003 · 307 citations

Natural Sciences, Chemistry, Catalysis +16

Low-Coordinate Carbene Complexes of Nickel(0) and Platinum(0)

Anthony J. Arduengo, Siegfried Gamper, Joseph C. Calabrese et al. · Journal of the American Chemical Society · 1994 · 267 citations

Natural Sciences, Chemistry, Crystal Structure +11