164752.fig.002a
(a)
164752.fig.002b
(b)
164752.fig.002c
(c)
164752.fig.002d
(d)
Figure 2: CD3 product angular distribution (with respect to the incident CD4) for the H + CD4 → HD + CD3 reaction at different collision energies. (a) Experimental results from [64]; (b) QCT angular distribution on the CBE analytical surface [66]; (c) QM angular distribution on the CBE analytical surface [66]; (d) QCT angular distribution on the B3LYP “on-the-fly” surface [65].