A comparison of SCF-Xα and extended Hückel methods for metal clusters

Optimization of the Statistical Exchange Parameter<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>α</mml:mi></mml:math>for the Free Atoms H through Nb

1972 • 1,172 citations

Molecular-Orbital Treatment for Deep Levels in Semiconductors: Substitutional Nitrogen and the Lattice Vacancy in Diamond

1973 • 316 citations

Self-Consistent Calculation of Energy Bands in Ferromagnetic Nickel

1973 • 183 citations

Molecular orbital investigation of chemisorption. I. Hydrogen on tungsten (100) surface

1973 • 140 citations

Molecular orbital studies of dissociative chemisorption of first period diatomic molecules and ethylene on (100) W and Ni surfaces

1974 • 139 citations

Molecular orbital models for hydrogen adsorption on different sites of a nickel crystal

1972 • 132 citations

Electronic properties of metal clusters

1975 • 122 citations

A molecular orbital approach to chemisorption

1971 • 119 citations

Molecular orbital description of catalysis by metal clusters

1973 • 95 citations

Semi-empirical LCAO band structures

1971 • 63 citations

Semi‐Empirical LCAO Band Structures for Different Crystalline Phases of Tellurium

1973 • 15 citations