Transition metal–ligand bonding. II

Molecular Spectra and Molecular Structure

1979 • 15,902 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

Electronic Spectra of Polyatomic Molecules

1941 • 1,350 citations

A Comparison of the Super-CI and the Newton-Raphson Scheme in the Complete Active Space SCF Method

1980 • 698 citations

A new analysis of charge transfer and polarization for ligand–metal bonding: Model studies of Al4CO and Al4NH3

1984 • 545 citations

On the nature of the bonding of lone pair ligands to a transition metal

1984 • 352 citations

Generalizations of the direct CI method based on the graphical unitary group approach. II. Single and double replacements from any set of reference configurations

1980 • 342 citations

The externally contracted CI method applied to N₂

1983 • 245 citations

The shape-driven graphical unitary group approach to the electron correlation problem. Application to the ethylene molecule

1982 • 237 citations

Bonding of CO to metal surfaces: A new interpretation

1983 • 207 citations

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

1984 • 189 citations

The alchemy configuration interaction method. I. The symbolic matrix method for determining elements of matrix operators

1981 • 162 citations

General second-order MCSCF theory for large CI expansions

1982 • 137 citations

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

1985 • 106 citations

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

1952 • 86 citations

Use of SIMS for studies of adsorption on well-defined metal surfaces (1) Combined XPS/LEED/SIMS studies of O2, CO, H2O, and H2 on Ni (100)

1979 • 79 citations

Singlet and triplet potential surfaces for the nickel-ethylene [Ni(C2H4)] complex. A CASSCF-CI study

1985 • 61 citations

Primary ion beam energy effects on secondary ion emission from Ni(001)c(2 × 2)-CO: Classical dynamics calculations and sims

1982 • 9 citations