Parameter-free molecular orbital calculations

Electronic Population Analysis on LCAO–MO Molecular Wave Functions. II. Overlap Populations, Bond Orders, and Covalent Bond Energies

1955 • 1,933 citations

Approximate Radial Functions for First-Row Transition-Metal Atoms and Ions. I. Inner-Shell, 3d and 4s Atomic Orbitals

1962 • 492 citations

Molecular Orbital Theory for Octahedral and Tetrahedral Metal Complexes

1966 • 257 citations

Approximate Radial Functions for First-Row Transition-Metal Atoms and Ions. II. 4p and 4d Atomic Orbitals

1963 • 217 citations

409. The far-infrared spectra (190—460 cm.^–1) of tetraethylammonium salts of some complex chlorides and bromides

1963 • 159 citations

SCF-MO Wave Functions for the Hydrogen Fluoride Molecule

1962 • 138 citations

Molecular orbital theory for square-planar metal halide complexes

1967 • 111 citations

Atomic Negative Ions. Second Period

1964 • 107 citations

A Method for Molecular Orbital Calculations for Metal Complexes

1966 • 80 citations

Die Kristallstrukturen von ScCl₃, TiCl₃ und VCl₃

1947 • 76 citations

Refinement of the crystal structure of di-.mu.-(pyridine oxide)-bis(dichlorocopper(II))

1967 • 55 citations

CORRELATION OF NUCLEAR QUADRUPOLE COUPLING CONSTANTS WITH MOLECULAR ELECTRONIC STRUCTURE USING MOLECULAR ORBITAL THEORY

1966 • 52 citations

Energy Levels, Spin Densities, and the Nephelauxetic Effect in Metal Hexafluorides

1966 • 30 citations

Investigation on the Molecular Structures of Titanium Tetrachloride and Zirconium Tetrachloride by Gas Electron Diffraction

1956 • 23 citations