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https://dspace.ffh.bg.ac.rs/handle/123456789/1332| Title: | Ab initio study of the electronic spectrum of BeO | Authors: | Adamović, Ivana Parac, Maja Hanrath, Michael Perić, Miljenko |
Keywords: | Ab initio calculations;Electronic spectrum;Valence - Rydberg interaction | Issue Date: | 1-Jan-1999 | Journal: | Journal of the Serbian Chemical Society | Abstract: | Low-lying singlet and triplet electronic states of the BeO molecule are calculated by means of the quantum chemical ab initio method. It was found that all states in the energy range from 0 to 50000 cm-1 are of valence character. Particular attention was paid to the investigation of the dissociative behavior of the states considered. The vibrational structure of the A1Π←Χ1Σ and B1Σ+←X1Σ+ spectral systems was calculated. |
URI: | https://dspace.ffh.bg.ac.rs/handle/123456789/1332 | ISSN: | 0352-5139 | DOI: | 10.2298/jsc9912721a |
| Appears in Collections: | Journal Article |
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