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By using QCISD/6-311G(d)method, the ground state of SO-2, and its energy, harmonic frequencies, force constants have been calculated. The calculated results are in good agreement with the experimental ones. The analytical potential energy function of SO-2 has been derived based on the many-body expansion theory. The structure and energy of SO-2 can correctly reappear on the potential surface.
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Keywords:
- SO-2 /
- SO- /
- ion structure
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