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https://dspace.ffh.bg.ac.rs/handle/123456789/1402| Title: | Ab initio study of the vibronic structure for the X<sup>2</sup>B<inf>1</inf> and A<sup>2</sup>A, electronic states of H<inf>2</inf>O<sup>+</sup> | Authors: | Reuter, Willi Perić, Miljenko Peyerimhoff, Sigrid D. |
Issue Date: | 1-Jan-1991 | Journal: | Molecular Physics | Abstract: | 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. © 1991 Taylor and Francis Group, LLC. |
URI: | https://dspace.ffh.bg.ac.rs/handle/123456789/1402 | ISSN: | 0026-8976 | DOI: | 10.1080/00268979100102431 |
| Appears in Collections: | Journal Article |
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