A method for the accurate determination of parameters for intramolecular potential energy surface on the basis of microwave and submillimeter-wave spectra, II: Asymmetric top molecules and HS as a relevant illustration; Chemical Physics; Vol. 610
| Parent link: | Chemical Physics.— .— Amsterdam: Elsevier Science Publishing Company Inc. Vol. 610.— 2026.— Article number 113310, 14 p. |
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| Other Authors: | , , , , , , |
| Summary: | Title screen A method for determining of basic parameters of a molecule (i.e., structural parameters and parameters of intramolecular potential hypersurface), which was derived recently in Ulenikov et al. (2025) and which accuracy and efficiency was illustrated with the diatomic HCl molecule, is applied for consideration of an arbitrary asymmetric top molecule. Necessary analytical formulas are obtained for the first time on the basis of a specially derived set of analytical calculations for molecular spectroscopy with the use of high order (up to fourth) terms of the projection formulation of the operator perturbation theory. For illustration of the correctness of the results obtained, the molecule (the hydrogen sulfide molecule, as an example) is considered Текстовый файл AM_Agreement |
| Language: | English |
| Published: |
2026
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| Subjects: | |
| Online Access: | https://doi.org/10.1016/j.chemphys.2026.113310 |
| Format: | Electronic Book Chapter |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=687150 |