The vibrational frequencies, the dissociation energy, and the electron affinity of nickel carbonyl

Constants of diatomic molecules

1979 • 5,108 citations

A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach

1980 • 3,584 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

The World of Quantum Chemistry

1974 • 678 citations

The coupled pair functional (CPF). A size consistent modification of the CI(SD) based on an energy functional

1985 • 489 citations

A modified coupled pair functional approach

1986 • 333 citations

Structure of CO Adsorbed on Cu(100) and Ni(100)

1979 • 316 citations

Electronic Structure of CO and BF

1965 • 315 citations

Vibrational excitations and structure of CO adsorbed on Ni(100)

1977 • 290 citations

The externally contracted CI method applied to N₂

1983 • 245 citations

Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry

1986 • 243 citations

Electronic structure and vibrational frequency of Cr2

1983 • 227 citations

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

1971 • 198 citations

The metal–carbonyl bond in Ni(CO)4 and Fe(CO)5: A clear-cut analysis

1984 • 189 citations

The nature of the bonding in XCO for X=Fe, Ni, and Cu

1986 • 178 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

Transition metal–ligand bonding. II

1986 • 94 citations

An effective core potential study of the mono- and tetracarbonyls of Ni, Pd, and Pt

1985 • 81 citations

Ab initiocluster-model study of the electronic ground-state and photoemission properties of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">NiN</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>and NiCO: Models for chemisorption

1985 • 77 citations

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

1981 • 71 citations

Formation of gas-phase negative ions in Fe(CO)5 and Ni(CO)4

1976 • 59 citations

Photoionization study of Fe(CO)5 and Ni(CO)4

1970 • 52 citations

Laser photoelectron spectrometry of Co− and Ni−

1979 • 49 citations

Bonding in the first-row transition-metal monocarbonyl molecules

1986 • 45 citations

Heats of Combustion and Formation of Metal Carbonyls. II. Nickel Carbonyl¹

1957 • 43 citations

Electron correlation in the nickel atom

1980 • 36 citations

Ab initio SCF study of the vibrational spectra of nickel carbonyls Ni(CO)n, n = 1–4

1986 • 25 citations

Excited electronic states of NiCO

1986 • 21 citations

On the electron affinity of Cu atom

1984 • 19 citations

The effect of CO chemisorption on the metal surface; CO/Ni(100)

1986 • 13 citations