Reaction dynamics calculations for the CN+H[sub 2]->HCN+H reaction: Applications of the

Takayanagi, Toshiyuki; Schatz, George C.
February 1997
Journal of Chemical Physics;2/22/1997, Vol. 106 Issue 8, p3227
Academic Journal
Presents quantum dynamics studies of the CN + H[sub 2] -> HCN + H reaction. Use of an extended version of the rotating bond approximation; Description of the HCN force field by the potential energy surface developed by Horst, Schatz and Harding; Reduction of the threshold by the reverse reaction of all three modes of HCN.


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