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An improved analytical representation of the ground electronic potential energy surface (PES) of the (H + , N 2 ) system is generated using the ab initio data reported in our earlier work. The new analytical PES function describes adequately the global behavior and in particular the angular dependence of the interaction as well as the long-range part so that it is amenable to scattering...
The vibrational eigenstates of HCN and CNH and the states above the isomerization barrier, delocalized to both isomers, are analyzed (according to the automatic procedure of Saint-Espes et al., Chem. Phys., 188 (1994) 33), for the potential energy surface of Murrell et al. (J. Mol. Spectrosc., 93 (1982) 307). The high-energy vibrational level distributions of both isomers turn out to be particularly...
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