On the "expanded local mode" approach applied to the methane molecule: isotopic substitution CH2D2 ←CH4; Molecular Physics; Vol. 109, iss. 17-18: 22nd Colloquium on High-Resolution Molecular Spectroscopy HRMS Dijon 2011 (Part 1): dedicated to Gianfranco Di Lonardo
| Parent link: | Molecular Physics: An International Journal at the Interface Between Chemistry and Physics Vol. 109, iss. 17-18: 22nd Colloquium on High-Resolution Molecular Spectroscopy HRMS Dijon 2011 (Part 1): dedicated to Gianfranco Di Lonardo.— 2010.— [P. 2111-2130] |
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| Andre forfattere: | , , , , |
| Summary: | Title screen On the basis of a compilation of the ‘expanded local mode’ model and the general isotopic substitution theory, sets of simple analytical relations between different spectroscopic parameters (harmonic frequencies, ωλ anharmonic coefficients, χλμ, ro-vibrational coefficients, αβλ, different kinds of Fermi- and Coriolis-type interaction parameters) of the CH2D2 molecule are derived. All of them are expressed as simple functions of a few initial spectroscopic parameters of the mother, CH4, molecule. Test calculations with the derived isotopic relations show that, in spite of a total absence of initial information about the CH2D2 species, the numerical results of the calculations have a very good correlation both with experimental data, and results of ab initio calculations. Режим доступа: по договору с организацией-держателем ресурса |
| Sprog: | engelsk |
| Udgivet: |
2010
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| Fag: | |
| Online adgang: | http://dx.doi.org/10.1080/00268976.2011.611479 |
| Format: | Electronisk Book Chapter |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=640793 |
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| 200 | 1 | |a On the "expanded local mode" approach applied to the methane molecule: isotopic substitution CH2D2 ←CH4 |f O. N. Ulenikov [et al.] | |
| 203 | |a Text |c electronic | ||
| 300 | |a Title screen | ||
| 320 | |a [References: p. 2127-2128 (47 tit.)] | ||
| 330 | |a On the basis of a compilation of the ‘expanded local mode’ model and the general isotopic substitution theory, sets of simple analytical relations between different spectroscopic parameters (harmonic frequencies, ωλ anharmonic coefficients, χλμ, ro-vibrational coefficients, αβλ, different kinds of Fermi- and Coriolis-type interaction parameters) of the CH2D2 molecule are derived. All of them are expressed as simple functions of a few initial spectroscopic parameters of the mother, CH4, molecule. Test calculations with the derived isotopic relations show that, in spite of a total absence of initial information about the CH2D2 species, the numerical results of the calculations have a very good correlation both with experimental data, and results of ab initio calculations. | ||
| 333 | |a Режим доступа: по договору с организацией-держателем ресурса | ||
| 461 | |t Molecular Physics |o An International Journal at the Interface Between Chemistry and Physics | ||
| 463 | |t Vol. 109, iss. 17-18: 22nd Colloquium on High-Resolution Molecular Spectroscopy HRMS Dijon 2011 (Part 1): dedicated to Gianfranco Di Lonardo |v [P. 2111-2130] |d 2010 | ||
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| 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 |3 (RuTPU)RU\TPU\pers\34331 |9 17837 | |
| 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 |3 (RuTPU)RU\TPU\pers\34089 |9 17645 | |
| 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 |3 (RuTPU)RU\TPU\pers\34450 |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 |3 (RuTPU)RU\TPU\pers\34333 |9 17839 | |
| 701 | 1 | |a Leroy |b K. A. |c physicist |c Junior researcher at Tomsk Polytechnic University, candidate of physico-mathematical Sciences |c Professor, University of Montreal (France) |f 1961- |g Klod (Claude) Andre |3 (RuTPU)RU\TPU\pers\37958 | |
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