Level ordering in ferrocence. A comparision between the hartree-fock-slater and hartree-fock models

Self-consistent molecular Hartree—Fock—Slater calculations I. The computational procedure

1973 • 3,081 citations

Ab Initio Computations in Atoms and Molecules

1965 • 1,526 citations

Self-Consistent-Field<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>X</mml:mi><mml:mi>α</mml:mi></mml:math>Cluster Method for Polyatomic Molecules and Solids

1972 • 891 citations

Self-consistent molecular Hartree—Fock—Slater calculations II. The effect of exchange scaling in some small molecules

1973 • 403 citations

On the molecular structure of ferrocene, Fe(C5H5)2

1966 • 233 citations

Electron Spectroscopy of Open-Shell Systems: Spectra of Ni(C5H5)2, Fe(C5H5)2, Mn(C5H5)2, and Cr(C5H5)2

1972 • 165 citations

Ionization potentials of ferrocene and Koopmans' theorem. Anab initio LCAO-MO-SCF calculation

1972 • 156 citations

Electronic structure of the ferricenium cation

1970 • 156 citations

Electronic structure of metal complexes containing π-cyclopentadienyl and related ligands. Part 1.—He(I) photoelectron spectra of some closed-shell metallocenes

1972 • 146 citations

Electronic Absorption Spectrum of Ferrocene

1967 • 138 citations

Electronic structure of the nickel tetracyanonickelate Ni(CN) 4 2? and nickel carbonyl Ni(CO)4. An ab-initio LCAO-MO-SCF calculation

1973 • 103 citations

Simple Basis Set for Molecular Wavefunctions Containing Third-Row Atoms

1967 • 54 citations

Photoelectron spectrum of bis-(π-allyl)nickel

1973 • 51 citations

High energy photoelectron spectroscopy of transition metal complexes. Part 2.—Metallocenes

1973 • 50 citations