Ab initio Hartree–Fock and configuration‐interaction treatment of the interaction between two nickel atoms

Gaussian Basis Set for Molecular Wavefunctions Containing Third-Row Atoms

1970 • 3,336 citations

Gaussian basis sets for molecular calculations. The representation of 3d orbitals in transition-metal atoms

1977 • 1,971 citations

Self-Consistent Field Theory for Open Shells of Electronic Systems

1960 • 1,927 citations

Molecular-orbital studies of transition- and noble-metal clusters by the self-consistent-field-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>X</mml:mi><mml:mi>α</mml:mi></mml:math>scattered-wave method

1976 • 345 citations

Nonintegral Occupation Numbers in Transition Atoms in Crystals

1969 • 274 citations

Theory of intermolecular forces

1970 • 261 citations

The ultraviolet–visible spectra of diatomic, triatomic, and higher nickel clusters

1977 • 168 citations

Molecular cluster theory for chemisorption of first row atoms on nickel (100) surfaces

1976 • 158 citations

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

1974 • 139 citations

Structures, binding energies, and charge distributions for two to six atom Ti, Cr, Fe, and Ni clusters and their relationship to nucleation and cluster catalysis

1976 • 127 citations

A molecular complex model for the chemisorption of hydrogen on a nickel surface

1976 • 127 citations

A Mass Spectrometric Method for the Determination of Dissociation Energies of Diatomic Molecules

1957 • 106 citations

SCF-Xα-SW model calculations for metal clusters of nickel, copper, and silver and for the oxygen chemisorption on these metals

1976 • 104 citations

Dissociation Energies of Diatomic Molecules of the Transition Elements. I. Nickel

1964 • 99 citations

Observation of clusters in a sputtering ion source

1973 • 97 citations

Heisenberg Exchange Interaction of Two Mn Atoms

1964 • 95 citations

CNDO MO calculations for hydrogen atom adsorption on nickel atom clusters

1975 • 91 citations

On the Molecular Evaporation of Group IVB Elements

1953 • 82 citations

The visible absorption spectra of Mn2, Fe2, and Ni2 in argon matrices

1975 • 82 citations

Quantum chemistry and catalysis

1974 • 81 citations

Molecular cluster theory of CO chemisorption on a nickel(100) surface

1977 • 71 citations

Bonding of Ethylene to Diatomic Nickel according to a Self-Consistent-Field,<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>X</mml:mi><mml:mi>α</mml:mi></mml:math>, Scattered-Wave Model

1974 • 70 citations

Modeling catalytic reactions with transition metal atoms. 1. Synthesis and characterization of reactive intermediates in the nickel-ethylene system, (C2H4)nNi (where n = 1, 2, or 3) in low temperature matrices

1976 • 68 citations

The interaction of CO with matrix-isolated Ni clusters: A model for CO chemisorbed on Ni

1976 • 64 citations

Optical spectra of Be atoms and Be2 molecules in rare gas matrices

1975 • 60 citations

On the role of d electrons in chemisorption and catalysis on transition metal surfaces

1976 • 60 citations

Molecular orbital theory of the diatomic molecules of the first row transition metals

1972 • 54 citations

Absorption and emission spectra of Ca2 in solid krypton

1977 • 39 citations

Some new electronic states of matrix-isolated diatomic bismuth

1977 • 34 citations

The interaction of CO with small copper particles of known size

1976 • 32 citations

Divanadium

1977 • 28 citations

Ground States, Configurations, and Truncated Orbital Bases of the Iron-Series Atoms

1968 • 23 citations

Vielatomige Molekülionen im Hochfrequenzfunken zwischen Elektroden aus den Elementen Be, C, Mg, Al, Ti, Fe und Cu

1961 • 18 citations

Calculation of the electronic structure of ethylene bonded to diatomic nickel and correlation with Ni-C₂H₂photo–emission data

1974 • 16 citations