Structure and Vibrational Features of Complexes between Unsaturated Hydrocarbons and Acidic Sites in Silica and Zeolites: An ab Initio Study

This publication has 51 references indexed in Scilit:

• Embedded Cluster Model for the ab Initio Study of Broensted Acidity in Zeolites
  The Journal of Physical Chemistry, 1994
• FTIR study of weak hydrogen bonding of Broensted hydroxyls in zeolites and aluminophosphates
  The Journal of Physical Chemistry, 1994
• Heats of adsorption for ammonia and pyridine in H-ZSM-5: evidence for identical Brønsted-acid sites
  Applied Catalysis A: General, 1994
• Ab initio molecular orbital calculations of the protonation of propylene and isobutene by acidic hydroxyl groups of isomorphously substituted zeolites
  The Journal of Physical Chemistry, 1993
• Molecular electric moments from x-ray diffraction data
  Chemical Reviews, 1992
• Effect of electron correlation on the electrostatic potential distribution of molecules
  Journal of the American Chemical Society, 1991
• Accurate a b i n i t i o calculations of the quadrupole moment of acetylene. A combined study of basis set, correlation, and vibrational effects
  The Journal of Chemical Physics, 1991
• Quantum chemical study of the electronic structure and geometry of surface alkoxy groups as probable active intermediates of heterogeneous acidic catalysts: What are the adsorbed carbenium ions?
  Journal of Catalysis, 1989
• FT-i.r. study of molecular interactions of olefins with oxide surfaces
  Spectrochimica Acta Part A: Molecular Spectroscopy, 1987
• Estimation of proton donor ability of surface hydroxy groups in terms of proton affinity
  Reaction Kinetics, Mechanisms and Catalysis, 1981