An ab initio study of the electronic spectrum of dichlorocarbene CCl2

Self-consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets

Michael J. Frisch, John A. Pople, J. Stephen Binkley · The Journal of Chemical Physics · 1984 · 8.5K citations

Natural Sciences, Chemistry, Physics +14

Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row Atoms

Thom H. Dunning · The Journal of Chemical Physics · 1970 · 5K citations

Natural Sciences, Chemistry, Physics +15

Self-consistent molecular orbital methods. 21. Small split-valence basis sets for first-row elements

J. Stephen Binkley, John A. Pople, Warren J. Hehre · Journal of the American Chemical Society · 1980 · 3.9K citations

Natural Sciences, Chemistry, Computational Chemistry +7

The synthesis, redox properties, and ligand binding of heterobinuclear transition-metal macrocyclic ligand complexes. Measurement of an apparent delocalization energy in a mixed-valent copper(I)copper(II) complex

Robert R. Gagnè, Clifford L. Spiro, Thomas J. Smith et al. · Journal of the American Chemical Society · 1981 · 402 citations

Natural Sciences, Chemistry, Inorganic Chemistry +15

Structure and energetics of simple carbenes methylene, fluoromethylene, chloromethylene, bromomethylene, difluoromethylene, and dichloromethylene

Charles W. Bauschlicher, Henry F. Schaefer, Paul S. Bagus · Journal of the American Chemical Society · 1977 · 170 citations

Natural Sciences, Chemistry, Molecular Physics +7