Abstract
The diatomics-in-molecules method is applied to calculate singlet and triplet potential energy surfaces for the (FH2)+ system. Results are presented in the form of contour maps for collinear and C2v geometries and used to interpret F+ (3Pg, 1Dg)+ H2 (1Σg+) and F(2Pu)+ H2+(2Σg+) collisions. On the ground of the course of the minimum energy pathways conclusions are drawn concerning the energy requirements and mechanisms of the corresponding processes.
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