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

Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals

1985 • 14,719 citations

Ab initio effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg

1985 • 12,937 citations

Ab initio effective core potentials for molecular calculations. Potentials for main group elements Na to Bi

1985 • 9,528 citations

Atomic energy levels

1965 • 5,224 citations

Catalysis: Science and Technology

1982 • 1,655 citations

Improved <scp>SCF</scp> convergence acceleration

1982 • 1,219 citations

Counterintuitive orbital mixing in semiempirical and ab initio molecular orbital calculations

1978 • 1,073 citations

The Chemistry of Platinum and Palladium

1973 • 516 citations

Relativistic contributions to the low-lying excitation energies and ionization potentials of the transition metals

1981 • 212 citations

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

1984 • 189 citations

Ab initiomolecular orbital calculations of transition metal complexes

1971 • 154 citations

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

1982 • 124 citations

Binary carbonyls of platinum, Pt(CO)n (where n = 1-4). Comparative study of the chemical and physical properties of M(CO)n (where M = nickel, palladium, or platinum; n = 1-4)

1973 • 124 citations

The nature of the metal–CO interaction and bonding

1984 • 123 citations

Model potential method in molecular calculations

1984 • 119 citations

Nickel tetracarbonyl, Ni(CO)4. I. Molecular structure by gaseous electron diffraction. II. Refinement of quadratic force field

1979 • 110 citations

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

1985 • 106 citations

Electronic structure of the nickel tetracyanonickelate Ni(CN) 4 2? and nickel carbonyl Ni(CO)4. An ab-initio LCAO-MO-SCF calculation

1973 • 103 citations

The crystal structure of nickel carbonyl, Ni(CO)₄

1952 • 86 citations

The binding of ethylene to platinum and palladium. An ab initio study of the MCl3(C2H4)- species

1981 • 84 citations

Heats of Combustion and Formation of Metal Carbonyls. III. Iron Pentacarbonyl; The Nature of the Bonding in Metal Carbonyls¹

1959 • 80 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

Intermediate Binary Carbonyls of Palladium Pd(CO)_n where n = 1–3; Preparation, Identification, and Diffusion Kinetics by Matrix Isolation Infrared Spectroscopy

1972 • 64 citations

Infrared spectroscopic evidence for palladium tetracarbonyl

1972 • 62 citations

Geometry and electronic structure of (CO)3NiCH2. A model transition-metal carbene

1981 • 59 citations

The Molecular Structure of Nickel Carbonyl

1935 • 52 citations

The use of model potentials in molecular calculations. II

1982 • 50 citations

Bonding and backbonding in NiCO: A MCSCF study

1981 • 47 citations

The experimental values of atomic electron affinities. Their selection and periodic behavior

1975 • 45 citations

Pseudopotential SCF and Cl investigation of the electronic structure of PdH, PdC and PdCO

1982 • 44 citations

Tetrahedral platinum(O) carbonyl. Crystal and molecular structure of tris(triphenylphosphine)carbonylplatinum

1969 • 39 citations

Electronic structure and orbital interactions in linear monocarbonylplatinum

1983 • 37 citations

On correlation treatments of the nickel atom

1985 • 36 citations

Ni(CO)4 - A test of the Hartree-Fock approximation for transition-metal compounds

1984 • 32 citations

Non-empirical pseudo-potentials for molecular calculations

1978 • 28 citations

Molecular pseudopotential calculations on transition-metal complexes: Ni(CO)4, Pd(CO)4, and Pt(CO)4

1976 • 25 citations

On the similarity and differences for N2 and CO on Ni

1985 • 19 citations

An ab initio CI study of the stability and electronic structure of NiCO and CuCO

1984 • 16 citations

Optimized exponents for nickel atom 4s and 4p orbitals obtained from ab initio molecular orbital calculations on tetracarbonylnickel

1981 • 15 citations

Failure of a pseudopotential calculation for Pd(CO)4

1977 • 12 citations

Corrections to molecular pseudopotential calculations on transition-metal complexes: Ni(CO)4, Pd(CO)4, and Pt(CO)4

1978 • 10 citations