Periodic ab initio study of the oxidizing sites in Ti-containing zeolites

Article Properties
Refrences
Title Journal Journal Categories Citations Publication Date
Coordination, Structure, and Vibrational Spectra of Titanium in Silicates and Zeolites in Comparison with Related Molecules. An ab Initio Study The Journal of Physical Chemistry 93 1996
Synthesis, Characterization, and Catalytic Activity of Ti-MCM-41 Structures Journal of Catalysis
  • Science: Chemistry: Physical and theoretical chemistry
  • Technology: Chemical technology: Chemical engineering
  • Technology: Chemical technology: Chemical engineering
  • Science: Chemistry: Physical and theoretical chemistry
  • Science: Chemistry
502 1995
Adsorption energies of NH3 and NH+4 in zeolites corrected for the long-range electrostatic potential of the crystal

The Journal of Chemical Physics
  • Science: Chemistry: Physical and theoretical chemistry
  • Science: Physics: Atomic physics. Constitution and properties of matter
  • Science: Chemistry: Physical and theoretical chemistry
  • Science: Chemistry
52 1994
Proton transfer in zeolites: a comparison between cluster and crystal calculations Modelling and Simulation in Materials Science and Engineering
  • Science: Chemistry
  • Science: Physics
  • Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mechanics of materials
  • Technology: Chemical technology
  • Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mechanics of materials
  • Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mechanics of materials
33 1994
10.1103/PhysRevB.47.11717 Physical Review B 1993