On the problem of defining the charge on an atom in a molecule

Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I

1955 • 10,259 citations

On the Non-Orthogonality Problem Connected with the Use of Atomic Wave Functions in the Theory of Molecules and Crystals

1950 • 2,996 citations

Iterative Extended Hückel Theory

1966 • 132 citations

Semiempirical Molecular Orbital Calculations. I. The Electronic Structure of H₂O and H₂S

1966 • 126 citations

Molecular-Orbital Studies of Intermolecular Interaction Energies. II. Approximations Concerned with Coulomb Interactions and Comparison of the Two London Schemes

1967 • 67 citations