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| Melnikov, V; Odaka, Tina; Jensen, P; Hirano, T. |
| A theoretical investigation of the (X) over tilde (2)A '' and (A) over tilde (2)A' electronic states of the HO2 radical is reported. Both electronic states have nonlinear equilibrium geometries and they correlate with a (2)Pi state at linear geometries so that they exhibit the Renner effect. In highly excited bending states, there is tunneling between two equivalent minima (with geometries where the H nucleus is bound to one, or the other, of the two O nuclei), and the two linear geometries H-O-O and O-O-H become accessible to the molecule. Thus, HO2 affords an example of the so-called double Renner effect. Three-dimensional potential energy surfaces for the (X) over tilde (2)A '' (A) over tilde (2)A' and electronic states of HO2 have been calculated ab... |
| Tipo: Text |
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| Ano: 2008 |
URL: http://archimer.ifremer.fr/doc/2008/publication-4202.pdf |
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