Comparative study of cluster- and supercell-approaches for investigating heterogeneous catalysis by electronic structure methods: tunneling in the reaction N + H --> NH on Ru(0001).

Những quyển sách tương tự

• The importance of tunneling in the first hydrogenation step in ammonia synthesis over a Ru(0001) surface.
  Bằng: Tautermann, C, et al.
  Được phát hành: (2005)
• The thermodesorption mechanism of ammonia from Ru(0001)
  Bằng: Tautermann, C, et al.
  Được phát hành: (2006)
• Reaction rates of all hydrogenation steps in ammonia synthesis over a Ru(0001) surface
  Bằng: Tautermann, C, et al.
  Được phát hành: (2006)
• Theoretical investigation of the surface reaction N-(ads)+H-(ads)-> NH(ads) on Ru(0001) using density functional calculations, variational transition-state theory, and semiclassical tunneling method
  Bằng: Volpi, A, et al.
  Được phát hành: (2004)
• Rates of the reaction C2H3+H-2 -> C2H4+H
  Bằng: Tautermann, C, et al.
  Được phát hành: (2006)