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https://dspace.ffh.bg.ac.rs/handle/123456789/1376| Title: | Interplay between vibronic and spin-orbit couplings in <sup>3</sup>Π states of triatomic molecules using as an example the A<sup>3</sup>Π<inf>u</inf> electronic state of NCN | Authors: | Krmar, Marija Perić, Miljenko |
Keywords: | Ab initio calculations;Renner-Teller effect;Spin-orbit coupling;Variational and perturbative approaches | Issue Date: | 1-Jan-2001 | Journal: | Journal of the Serbian Chemical Society | Abstract: | A systematic study of various effects on the structure of the spectra of linear triatomic molecules in the 3Π electronic states has been carried out. Paricular attention was paid to the interplay between the vibronic and spin-orbit couplings. Variational and perturbative computations at various levels of sophistication were performed fot the A3Πu, state of the NCN radical. |
URI: | https://dspace.ffh.bg.ac.rs/handle/123456789/1376 | ISSN: | 0352-5139 | DOI: | 10.2298/jsc0109613k |
| Appears in Collections: | Journal Article |
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