Methanol Adsorption in ZeolitesA First-Principles Study

This publication has 34 references indexed in Scilit:

• Understanding the Catalytic Behavior of Zeolites: A First-Principles Study of the Adsorption of Methanol
  Science, 1996
• Formation of Surface Methoxy Groups on H-Zeolites from Methanol. A Quantum Chemical Study
  The Journal of Physical Chemistry, 1995
• (A,B,C) Triplet of Infrared OH Bands of Zeolitic H-Complexes
  The Journal of Physical Chemistry, 1995
• Hartree-Fock perturbed-cluster treatment of local defects in crystals: I. The EMBED program: general features
  Computer Physics Communications, 1994
• Embedded Cluster Model for the ab Initio Study of Broensted Acidity in Zeolites
  The Journal of Physical Chemistry, 1994
• Proton transfer in zeolites: a comparison between cluster and crystal calculations
  Modelling and Simulation in Materials Science and Engineering, 1994
• Applications of solid-state NMR for the study of molecular sieves
  Analytica Chimica Acta, 1993
• Molecular interactions in solid state and quantum chemistry: A model problem, the proton transfer in zeolites
  Solid State Ionics, 1993
• Ab initioHartree-Fock modelling of zeolites: application to silico-chabazite
  Modelling and Simulation in Materials Science and Engineering, 1993
• Large-scale ab initio total energy calculations on parallel computers
  Computer Physics Communications, 1992