Local Spin Density Functional Theory Study of Copper Ion-Exchanged ZSM-5

This publication has 45 references indexed in Scilit:

• Electronic Structure Calculations of Ammonia Adsorption in H-ZSM-5 Zeolites
  The Journal of Physical Chemistry, 1995
• On the accuracy of gradient corrected density functional methods for transition metal complexes
  The Journal of Chemical Physics, 1995
• Density functional calculations on first-row transition metals
  The Journal of Chemical Physics, 1994
• Adsorption Studies on Cu-ZSM-5: Characterization of the Unique Properties of Ion-Exchanged Cu
  Journal of Catalysis, 1993
• Structural and electronic features of a Broensted acid site in H-ZSM-5
  The Journal of Physical Chemistry, 1993
• On the preparation and properties of CuZSM-5 catalysts for NO decomposition
  Catalysis Letters, 1993
• Removal of nitrogen monoxide through a novel catalytic process. 2. Infrared study on surface reaction of nitrogen monoxide adsorbed on copper ion-exchanged ZSM-5 zeolites
  The Journal of Physical Chemistry, 1992
• Chemical applications of density functional theory: comparison to experiment, Hartree-Fock, and perturbation theory
  The Journal of Physical Chemistry, 1991
• A method for two-electron Gaussian integral and integral derivative evaluation using recurrence relations
  The Journal of Chemical Physics, 1988
• Optimally conditioned optimization algorithms without line searches
  Mathematical Programming, 1975