Validation of Hybrid Density Functional/Hartree−Fock Approaches for the Study of Homogeneous Catalysis

This publication has 79 references indexed in Scilit:

• Structure, epr parameters, and reactivity of organic free radicals from a density functional approach
  Theoretical Chemistry Accounts, 1995
• Characterization of the potential energy surface of the HO2 molecular system by a density functional approach
  The Journal of Chemical Physics, 1994
• The chemical bonds in CuH, Cu2, NiH, and Ni2 studied with multiconfigurational second order perturbation theory
  The Journal of Chemical Physics, 1994
• Analysis of coupled cluster methods. II. What is the best way to account for triple excitations in coupled cluster theory?
  Theoretical Chemistry Accounts, 1993
• Chemical reactivity of iron atoms near room temperature
  The Journal of Chemical Physics, 1990
• Electronic Energy Levels of Small Polyatomic Transient Molecules
  Journal of Physical and Chemical Reference Data, 1988
• Theoretical dipole moments for the first-row transition metal hydrides
  The Journal of Chemical Physics, 1986
• Copper, silver, and gold atom-molecular oxygen complexes: matrix isolation ESR study
  The Journal of Physical Chemistry, 1986
• CASSCF/CI calculations for first row transition metal hydrides: The TiH (4Φ), VH (5Δ), CrH (6Σ+), MnH (7Σ+), FeH (4,6Δ), and NiH (2Δ) states
  The Journal of Chemical Physics, 1983
• Mass Spectrometric Determination of the Dissociation Energies of CuTb(g), CuDy(g), and CuHo(g)
  Berichte der Bunsengesellschaft für physikalische Chemie, 1979