Symmetry effects in rotationally resolved spectra of bi-deuterated ethylene: Theoretical line intensities of cis, trans, and as-C2H2D2 isotopome
In this paper, we report accurate first-principles variational rovibrational spectra predictions for the three double deuterated ethylene isotopologs denoted as cis, trans, and as-12C2H2D2. Calculations were performed in the framework of the normal-mode approach using our ab initio 12C2H4 (D2h) Born...
| Published in: | Journal of chemical physics Vol. 150, № 19. P. 194303-1-194303-21 |
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| Other Authors: | , , , |
| Format: | Article |
| Language: | English |
| Subjects: | |
| Online Access: | http://vital.lib.tsu.ru/vital/access/manager/Repository/vtls:000673683 Перейти в каталог НБ ТГУ |