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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| Altres autors: | , , , , , , |
| Sumari: | 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 |
| Idioma: | anglès |
| Publicat: |
2026
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| Matèries: | |
| Accés en línia: | https://doi.org/10.1016/j.chemphys.2026.113310 |
| Format: | Electrònic Capítol de llibre |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=687150 |
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| 200 | 1 | |a 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 |f Oleg Ulenikov, Elena Bekhtereva, Olga Gromova [et al.] | |
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| 330 | |a 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 | ||
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| 461 | 1 | |t Chemical Physics |c Amsterdam |n Elsevier Science Publishing Company Inc. | |
| 463 | 1 | |t Vol. 610 |v Article number 113310, 14 p. |d 2026 | |
| 610 | 1 | |a электронный ресурс | |
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| 610 | 1 | |a Parameters of intramolecular energy surface | |
| 610 | 1 | |a XY2(C2v) molecule | |
| 610 | 1 | |a Basic parameters of the H2S molecule | |
| 701 | 1 | |a Ulenekov (Ulenikov) |b O. N. |c physicist |c Professor of Tomsk Polytechnic University, Doctor of physical and mathematical sciences |f 1949- |g Oleg Nikolaevich |9 17837 | |
| 701 | 1 | |a Bekhtereva |b E. S. |c physicist |c Professor of Tomsk Polytechnic University, Doctor of physical and mathematical sciences |f 1974- |g Elena Sergeevna |9 17851 | |
| 701 | 1 | |a Gromova |b O. V. |c physicist |c Professor of Tomsk Polytechnic University, Candidate of physical and mathematical sciences |f 1982- |g Olga Vasilievna |9 17839 | |
| 701 | 1 | |a Sidko |b S. S. |c physicist |c Engineer of Tomsk Polytechnic University |f 2002- |g Sergey Sergeevich |9 88702 | |
| 701 | 1 | |a Mehrad |b M. |g Mohammad | |
| 701 | 1 | |a Kopytov |b G. S. |g Georgy Sergeevich | |
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