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

Bibliografiske detaljer
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]
Andre forfattere: Ulenekov (Ulenikov) O. N. Oleg Nikolaevich, Fomchenko A. L. Anna Leonidovna, Bekhtereva E. S. Elena Sergeevna, Gromova O. V. Olga Vasilievna, Leroy K. A. Klod (Claude) Andre
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
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

MARC

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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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