CO bonding and vibrational modes on a perfect MgO(001) surface: LCGTO-LDF model cluster investigation

This publication has 48 references indexed in Scilit:

• Density-functional thermochemistry. I. The effect of the exchange-only gradient correction
  The Journal of Chemical Physics, 1992
• Correlation field, structure, and phase transition in the monolayer CO adsorbed on NaCl(100) as revealed from polarization Fourier-transform infrared spectroscopy
  The Journal of Chemical Physics, 1991
• Precursor state in the chemisorption of CO on supported palladium clusters
  The Journal of Chemical Physics, 1991
• Approximate density functional theory as a practical tool in molecular energetics and dynamics
  Chemical Reviews, 1991
• Gas-phase hydrogen abstraction from methane using metal oxides. Theoretical study
  The Journal of Physical Chemistry, 1991
• Oxidative Coupling of Methane to Higher Hydrocarbons
  Catalysis Reviews, 1988
• Adsorbate-adsorbent and adsorbate-adsorbate interactions in CO overlayers adsorbed on α-Cr203 as investigated by infrared spectroscopy
  Spectrochimica Acta Part A: Molecular Spectroscopy, 1987
• Dipole coupling and chemical shifts of CO and NO adsorbed on oxides and halides with rock-salt structure
  Faraday Discussions of the Chemical Society, 1985
• Determination of the strength of aprotic acidic centers on catalyst surfaces from the IR spectra of adsorbed carbon monoxide
  Reaction Kinetics and Catalysis Letters, 1981
• Collective vibrational modes of adsorbed CO
  The Journal of Chemical Physics, 1978