Ab initio study of methyl-bromide photodissociation in the A band.

@article{Escure2009AbIS,
  title={Ab initio study of methyl-bromide photodissociation in the A band.},
  author={C. Escure and T. Leininger and B. Lepetit},
  journal={The Journal of chemical physics},
  year={2009},
  volume={130 24},
  pages={
          244305
        }
}
We performed a theoretical study of the photodissociation dynamics of CH(3)Br in the A band using a wave packet propagation technique on coupled ab initio potential energy curves. The present model involves the (3)Q(1) and (1)Q(1) excited states which can be populated from the ground state by a perpendicular transition and which are correlated at large methyl-bromide distance to the ground bromide spin-orbit state, as well as the (3)Q(0) and 4E states which can be excited by a parallel and… Expand
24 Citations
Ab initio study of valence and Rydberg states of CH3Br.
  • 15
  • PDF
A-band methyl halide dissociation via electronic curve crossing as studied by electron energy loss spectroscopy.
  • 11
  • PDF
Halogen-atom effect on the ultrafast photodissociation dynamics of the dihalomethanes CH2ICl and CH2BrI.
  • 12
UV excitations of halons.
  • 5
  • PDF
...
1
2
3
...

References

SHOWING 1-10 OF 30 REFERENCES
Ab initio study of valence and Rydberg states of CH3Br.
  • 15
  • PDF
...
1
2
3
...