The use of model potentials in molecular calculations. II

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

1979 • 726 citations

A systematic preparation of new contracted Gaussian‐type orbital sets. III. Second‐row atoms from Li through ne

1980 • 462 citations

A b i n i t i o effective core potentials: Reduction of all-electron molecular structure calculations to calculations involving only valence electrons

1976 • 451 citations

A b i n i t i o studies of AuH, AuCl, HgH and HgCl2 using relativistic effective core potentials

1978 • 146 citations

The use of model potentials in molecular calculations. I

1982 • 118 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

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

1980 • 85 citations

A systematic preparation of new contracted Gaussian‐type orbital sets. VI. Ab initio calculation on molecules containing Na through Cl

1981 • 73 citations

A systematic preparation of new contracted Gaussian‐ type orbital sets. VII. <scp>MINI</scp>‐3, <scp>MINI</scp>‐4, <scp>MIDI</scp>‐3, and <scp>MIDI</scp>‐4 sets for transition metal atoms

1981 • 60 citations

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

1978 • 26 citations

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

1976 • 25 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