Unrestricted Hartree-Fock calculations for a cluster model of NiO

Electronic Structure of the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>3</mml:mn><mml:mi>d</mml:mi></mml:math>Transition-Metal Monoxides. I. Energy-Band Results

1972 • 502 citations

Photoemission Partial State Densities of Overlapping<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>p</mml:mi></mml:math>and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>d</mml:mi></mml:math>States for NiO, CoO, FeO, MnO, and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Cr</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub…

1975 • 335 citations

A theoretical interpretation of photoelectron energy spectra for oxygen chemisorbed on nickel

1974 • 77 citations

Carbon Monoxide Oxidation and Related Reactions on a Highly Divided Nickel Oxide

1969 • 73 citations

Localized electronic excitations in nickel oxide

1973 • 59 citations

Gaussian-Orbital Basis Sets for the First-Row Transition-Metal Atoms

1969 • 59 citations

The relationship between surface electronic structure and chemisorption of hydrogen by MgO

1977 • 43 citations