Quantum Chemical Models of Chemisorption on Metal Surfaces

This publication has 34 references indexed in Scilit:

• Effective core potential calculations using frozen orbitals. Applications to transition metals
  Chemical Physics, 1983
• A study of the valence interaction integrals in effective core potential applications
  Chemical Physics Letters, 1983
• Effective core potential calculations on small molecules containing transition metal atoms
  Chemical Physics, 1982
• Effective core potential calculations on the NiH42− ion as a test case for studying rotational barriers
  Chemical Physics, 1982
• Electronic properties of metal clusters (Ni13 to Ni87) and implications for chemisorption
  Solid State Communications, 1978
• Ab-initio and pseudo-potential calculations on some first, second and third row molecules. A comparative study
  Chemical Physics, 1978
• Non-empirical pseudopotentials for molecular calculations
  Molecular Physics, 1977
• Ab initioeffective potentials for use in molecular quantum mechanics
  Physical Review A, 1974
• Atomic and molecular calculations with the model potential method. I
  The Journal of Chemical Physics, 1974
• New Method for Calculating Wave Functions in Crystals and Molecules
  Physical Review B, 1959