Structure and properties of transition‐metal compounds. A systematic study of basis set effects in ab initioSCF calculations

This publication has 7 references indexed in Scilit:

• Ab initio calculations on transition metal compounds using small minimal GTO basis sets
  Chemical Physics Letters, 1985
• The metal–carbonyl bond in Ni(CO)4 and Fe(CO)5: A clear-cut analysis
  The Journal of Chemical Physics, 1984
• Ni(CO)4 - A test of the Hartree-Fock approximation for transition-metal compounds
  Chemical Physics Letters, 1984
• How well does the Hartree–Fock model predict equilibrium geometries of transition metal complexes? Large-scale LCAO–SCF studies on ferrocene and decamethylferrocene
  The Journal of Chemical Physics, 1982
• Geometry and electronic structure of (CO)3NiCH2. A model transition-metal carbene
  Journal of the American Chemical Society, 1981
• A systematic preparation of new contracted Gaussian‐type orbital sets. III. Second‐row atoms from Li through ne
  Journal of Computational Chemistry, 1980
• Carbon monoxide, carbon monosulfide, molecular nitrogen, phosphorus trifluoride, and methyl isocyanide as .sigma. donors and .pi. acceptors. A theoretical study by the Hartree-Fock-Slater transition-state method
  Inorganic Chemistry, 1979