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https://dspace.ffh.bg.ac.rs/handle/123456789/1414| Title: | Ab initio investigation of the hyperfine structure in the 1<sup>2</sup>Π<inf>u</inf>(x<sup>2</sup>a<inf>1</inf>, a<sup>2</sup>b<inf>1</inf>) system of bh<inf>2</inf> | Authors: | Staikova, Mima Perić, Miljenko Engels, Bernd |
Issue Date: | 1-Jan-1994 | Journal: | Journal of Molecular Spectroscopy | Abstract: | The results of pure ab initio calculations of the hyperfine coupling constants for the vibronic levels of the 2Πu(X2A1, A2B1) system of the BH2 molecule are presented. Computations are performed for various isotopomers of BH2 in the energy range 0-15 000 cm-1.The study shows that even for the lowest vibronic states reliable hfcc′s can be obtained only if the nuclear motion is taken into account. Comparisons with NH2 and CH+2 are made. © 1994 Academic Press, Inc. |
URI: | https://dspace.ffh.bg.ac.rs/handle/123456789/1414 | ISSN: | 0022-2852 | DOI: | 10.1006/jmsp.1994.1019 |
| Appears in Collections: | Journal Article |
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