Excited electronic states of NiCO

Atomic energy levels

1965 • 5,224 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

Individualized configuration selection in CI calculations with subsequent energy extrapolation

1974 • 1,246 citations

Individualized configuration selection in CI calculations with subsequent energy extrapolation

1974 • 831 citations

Gaussian Lobe Function Expansions of Hartree—Fock Solutions for the First-Row Atoms and Ethylene

1966 • 432 citations

Preparation and identification of intermediate carbonyls of nickel and tantalum by matrix isolation

1971 • 198 citations

Chemisorption theory for metallic surfaces: Electron localization and the description of surface interactions

1980 • 174 citations

Determination of the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi mathvariant="normal">Ni</mml:mi><mml:mn /><mml:mo>{</mml:mo><mml:mn>001</mml:mn><mml:mo>}</mml:mo><mml:mi>c</mml:mi><mml:mo>(</mml:mo><mml:mn>2</mml:mn><mml:mn /><mml:mo>×</mml:mo><mml:mn>2</mml:mn><mml:mo>)</mml:mo></mml:math>-CO Structure by Low-Energy Electron Diffraction

1979 • 132 citations

Laser photoelectron spectrometry of Ni(CO)n-, n = 1-3

1982 • 124 citations

Interaction between nickel and the ligand groups carbonyl, water, and phosphine

1985 • 106 citations

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

1976 • 89 citations

A b i n i t i o evaluation of the fine structure and radiative lifetime of the 3A2(n→π*) state of formaldehyde

1976 • 79 citations

Theoretical study of the vertical electronic spectrum of O2: Mixing of valence and Rydberg states

1975 • 76 citations

The electronic structure of NiCO: A new prediction for the ground state

1981 • 71 citations

Charged carbonyls in matrices. Infrared structural characterization of tricarbonylnickel(1-), pentacarbonylchromium(1-), and tetracarbonyliron(1-)

1981 • 58 citations

Hydrogen adsorption on copper: Embedding theory based on orbital localization

1981 • 47 citations

Bonding and backbonding in NiCO: A MCSCF study

1981 • 47 citations

On correlation treatments of the nickel atom

1985 • 36 citations

Production of carbonyl anions by the vacuum ultraviolet photolysis of matrix isolated metal carbonyls

1973 • 23 citations