ESCA: chemical shifts of K-shell electron binding energies for first-row atoms in molecules

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

1955 • 10,259 citations

Self-Consistent-Field Wave Functions for Hole States of Some Ne-Like and Ar-Like Ions

1965 • 699 citations

Orbital Radii of Atoms and Ions

1965 • 404 citations

Optical and Photoelectron Spectra of Small Rings. III. The Saturated Three-Membered Rings

1969 • 246 citations

Electronic States of the Amide Group

1967 • 196 citations

Electronic Spectra of Isoelectronic Amides, Acids, and Acyl Fluorides

1968 • 190 citations

Barrier to Internal Rotation in Ethane

1966 • 113 citations

Atomic Bethe-Goldstone Equations. II. The Ne Atom

1967 • 107 citations

Inner-electron binding energy and chemical bonding in sulphur

1968 • 101 citations

Heats of reaction from self-consistent-field energies of closed-shell molecules

1969 • 97 citations

Ionization energies in methane and ethane measured by means of ESCA

1968 • 78 citations

Ethylene Molecule in a Gaussian Basis. II. Contracted Bases

1967 • 67 citations

Nitrogen 1s Electron Binding Energies. Correlation with CNDO Charges

1968 • 45 citations