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Fig. 6
Contour plot for the H-atom abstraction reaction process HCl+(X2Π) + H2(X1Σg)−→ H2Cl+(X1A1) + H(2S) reaction along the two reaction coordinates, Cl−H′ (r1) and H′-H′′ (r2) distances, with all the other internal coordinates optimized. The energies are in kcal/mol relative to the global minimum M3.
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