Reduced dimensionality quantum dynamics of the polyatomic reaction CH3 + CH4 -> CH4 + CH3 on an ab initio surface

Liknande verk

• Reduced dimensionality quantum dynamics of CH3 + CH4 --> CH4 + CH3: symmetric hydrogen exchange on an Ab initio potential.
  av: Remmert, S, et al.
  Publicerad: (2009)
• Reduced dimensionality quantum dynamics of Cl + CH4 --> HCl + CH3 on an ab initio potential.
  av: Banks, S, et al.
  Publicerad: (2007)
• Reduced dimensionality spin-orbit dynamics of CH3 + HCl ⇌ CH4 + Cl on ab initio surfaces.
  av: Remmert, S, et al.
  Publicerad: (2011)
• An improved treatment of spectator mode vibrations in reduced dimensional quantum dynamics: application to the hydrogen abstraction reactions mu + CH4, H + CH4, D + CH4, and CH3 + CH4.
  av: Banks, S, et al.
  Publicerad: (2009)
• Ab initio rate constants from hyperspherical quantum scattering: application to H + CH4 --> H2 + CH3.
  av: Kerkeni, B, et al.
  Publicerad: (2004)