We present quantum dynamical investigations into the F + CHD(3) reaction. In our reduced dimensionality study we treat the two most important degrees of freedom, which describe the bond making and bond breaking explicitly, while treating the remaining spectator modes adiabatically. Cumulative as well as final state resolved reaction probabilities and cross sections are calculated for the two isotopic channels F + CHD(3) → FH + CD(3) and F + CHD(3) → FD + CHD(2). Our theoretical results are co...Expand abstract
- Publication status:
- Publisher copy:
- Copyright date:
Reactive resonances in the F + CHD3 reaction--a quantum dynamics study.
If you are the owner of this record, you can report an update to it here: Report update to this record