Analytical presentation of symmetrized vibrational functions of high symmetry molecules for applications in molecular spectroscopy and chemical physics: Accurate prediction of the vibrational spectrum of GeH4 up to 8000 cm−1 as a relevant application example; Journal of Quantitative Spectroscopy and Radiative Transfer; Vol. 321
| Parent link: | Journal of Quantitative Spectroscopy and Radiative Transfer.— .— Amsterdam: Elsevier Science Publishing Company Inc. Vol. 321.— 2024.— Article number 108997, 8 p. |
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| Співавтор: | |
| Інші автори: | , , , , |
| Резюме: | Title screen We report here the analytical description of vibrational wave functions being most important for applications in quantum mechanics, molecular and chemical physics as applied to the high symmetry XY4 (𝑇𝑑) molecules. A general method is discussed and, for the first time, all vibrational functions of such molecule type are presented in an analytical and symmetrized form for all polyads up to the polyad number 𝑁=4. To illustrate the relevant application of the derived results, an accurate prediction of all vibrational band centers up to 8000 cm−1 is made for five stable isotopologues 𝑀GeH4 (𝑀=76,74,73,72,70) of the germane molecule Текстовый файл AM_Agreement |
| Мова: | Англійська |
| Опубліковано: |
2024
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| Предмети: | |
| Онлайн доступ: | https://doi.org/10.1016/j.jqsrt.2024.108997 |
| Формат: | Електронний ресурс Частина з книги |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=672409 |
MARC
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| 200 | 1 | |a Analytical presentation of symmetrized vibrational functions of high symmetry molecules for applications in molecular spectroscopy and chemical physics: Accurate prediction of the vibrational spectrum of GeH4 up to 8000 cm−1 as a relevant application example |f O. N. Ulenikov, E. S. Bekhtereva, O. V. Gromova [et al.] | |
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| 300 | |a Title screen | ||
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| 330 | |a We report here the analytical description of vibrational wave functions being most important for applications in quantum mechanics, molecular and chemical physics as applied to the high symmetry XY4 () molecules. A general method is discussed and, for the first time, all vibrational functions of such molecule type are presented in an analytical and symmetrized form for all polyads up to the polyad number =4. To illustrate the relevant application of the derived results, an accurate prediction of all vibrational band centers up to 8000 cm−1 is made for five stable isotopologues GeH4 (=76,74,73,72,70) of the germane molecule | ||
| 336 | |a Текстовый файл | ||
| 371 | 0 | |a AM_Agreement | |
| 461 | 1 | |t Journal of Quantitative Spectroscopy and Radiative Transfer |c Amsterdam |n Elsevier Science Publishing Company Inc. | |
| 463 | 1 | |t Vol. 321 |v Article number 108997, 8 p. |d 2024 | |
| 610 | 1 | |a электронный ресурс | |
| 610 | 1 | |a труды учёных ТПУ | |
| 610 | 1 | |a analytical presentation of vibrational symmetrized wave functions | |
| 610 | 1 | |a spherical top molecules | |
| 610 | 1 | |a vibrational energies of GeH4 | |
| 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 Fomchenko |b A. L. |c physicist |c research engineer at Tomsk Polytechnic University, candidate of physical and mathematical Sciences |f 1987- |g Anna Leonidovna |9 17645 | |
| 701 | 1 | |a Bauerekker |b Z. Kh. |g Zigurd Khermann | |
| 712 | 0 | 2 | |a Томский политехнический университет |c 1991- |9 26305 |
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