An a b i n i t i o study of the bonding in diatomic nickel

Atomic energy levels

1965 • 5,224 citations

A Handbook of Lattice Spacings and Structures of Metals and Alloys

1958 • 3,757 citations

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

Applicability of the multi-reference double-excitation CI (MRD-CI) method to the calculation of electronic wavefunctions and comparison with related techniques

1978 • 1,007 citations

Energy extrapolation in CI calculations

1975 • 1,001 citations

Individualized configuration selection in CI calculations with subsequent energy extrapolation

1974 • 831 citations

Improved a b i n i t i o effective core potentials for molecular calculations

1979 • 726 citations

Extended X-Ray—Absorption Fine Structure of Small Cu and Ni Clusters: Binding-Energy and Bond-Length Changes with Cluster Size

1979 • 367 citations

Gaussian basis sets for molecular wavefunctions containing third-row atoms

1971 • 258 citations

Density functional theory and molecular bonding. III. Iron-series dimers

1979 • 247 citations

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

1977 • 168 citations

Fe and Ni AB initio effective potentials for use in molecular calculations

1974 • 149 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

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

1964 • 99 citations

The electronic states of Ni2 and Ni2+

1978 • 98 citations

Very Small Metallic and Bimetallic Clusters: The Metal Cluster-Metal Surface Analogy in Catalysis and Chemisorption Processes

1977 • 93 citations

CNDO MO calculations for hydrogen atom adsorption on nickel atom clusters

1975 • 91 citations

Generalized valence bond description of the low-lying states of nickel carbonyl (NiCO)

1976 • 89 citations

Mass spectrometric investigation of gas phase reactions during sublimation

1971 • 86 citations

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

1975 • 82 citations

A b i n i t i o effective core potentials for molecular calculations. II. All-electron comparisons and modifications of the procedure

1978 • 79 citations

The low-lying states of hydrogen fluoride: Potential energy curves for the x 1Σ+, 3Σ+, 3Π, and 1Π states

1976 • 78 citations

On the orbital description of the 4s3d n+1 states of the transition metal atoms

1980 • 78 citations

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

1979 • 77 citations

A b i n i t i o effective core potentials including relativistic effects. IV. Potential energy curves for the ground and several excited states of Au2

1979 • 75 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

Ground State Electronic Wave Function of Methane

1960 • 62 citations

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

1969 • 59 citations

Selective naked-cluster cryophotochemistry and SCF-X.alpha.-SW calculations for copper (Cu2) and silver (Ag2)

1979 • 58 citations

Atomic coreless Hartree–Fock pseudopotentials for atoms K through Zn

1978 • 52 citations

Theory of ultraviolet spectra for Ni2 and Ni3 and hypothesis for argon matrix frequency shifts for Ni atoms

1977 • 45 citations

The cohesive energies of transition metals

1956 • 41 citations

The A→X system of Ni2 in argon matrices

1979 • 39 citations

Ab initio study of Cu₂and Cu₂⁺

1973 • 37 citations

A pseudo-potential calculation of the bonding of copper in Cu₂ and CuCl

1978 • 26 citations

Iterative solution of the Hartree-Fock equations with improved stability

1972 • 18 citations

Extrapolation in configuration interaction calculations using perturbation theory natural orbitals: Applications to H2O and HeH2+

1979 • 2 citations