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Results of an ab initio study of the vibronic structure for the X2B1, A2A1 system of H2O+, HDO+ and D2O+ are presented. Potential surfaces are calculated with the help of the MRDCI method. Vibronic term values, intensity distributions for absorption and emission and spin-orbit splittings of vibronic levels are computed. The results enable reliable interpretation of experimental findings.
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Reuter et al. (1991) studied this question.
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