An ab Initio MO Study on Gas-Phase Adsorptive Interactions of Aromatic Compounds onto the Surface of Silica Gel

This publication has 14 references indexed in Scilit:

• Quantum chemical molecular models of oxides. 3. The mechanism of water interaction with the terminal hydroxyl group of silica
  The Journal of Physical Chemistry, 1992
• Quantum chemical molecular models of oxides. 2. Methanol adsorption on silica and zeolites
  The Journal of Physical Chemistry, 1992
• Silanol as a model for the free hydroxyl of amorphous silica: Ab initio calculations of the interaction with formaldehyde
  Chemical Physics Letters, 1990
• Silanol as a model for the free hydroxyl of amorphous silica: ab-initio calculations of the interaction with water
  The Journal of Physical Chemistry, 1990
• Silanol as a model for the free hydroxyl of amorphous silica: Ab initio calculations of the interaction with ammonia
  Surface Science, 1989
• Silanol as a model for the free hydroxyl of amorphous silica: quantum-mechanical calculation of the interaction with carbon monoxide
  The Journal of Physical Chemistry, 1989
• Transferable analytical potential based on nonempirical quantum chemical calculations (QPEN) for water-silica interactions
  The Journal of Physical Chemistry, 1984
• The isomers of silacyclopropane
  Chemical Physics Letters, 1980
• The influence of polarization functions on molecular orbital hydrogenation energies
  Theoretical Chemistry Accounts, 1973
• Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules
  The Journal of Chemical Physics, 1972