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https://dspace.ffh.bg.ac.rs/handle/123456789/1358| Title: | Ab initio study of the vibronic and spin-orbit structure in the X<sup>2</sup>Π electronic state of CCCH | Authors: | Perić, Miljenko Mladenović, M. Tomić, K. Marian, C. M. |
Issue Date: | 8-Mar-2003 | Journal: | Journal of Chemical Physics | Abstract: | In the framework of ab initio study, the vibronic and spin-orbit couplings in the X2Π electronic state of the CCCH radical were considered. The values for various spectroscopic parameters computed agree satisfactorily with the results of previous experimental and theoretical works. Calculation results explain why the measured spin-orbit splitting in the lowest-lying vibronic species is approximately equal to half the value of the spin-orbit coupling constant. |
URI: | https://dspace.ffh.bg.ac.rs/handle/123456789/1358 | ISSN: | 0021-9606 | DOI: | 10.1063/1.1543155 |
| Appears in Collections: | Journal Article |
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