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| 200 | 1 |
_aOn the "expanded local mode" approach applied to the methane molecule: isotopic substitutions CH3D ←CH4 and CHD3 ←CH4 _fO. N. Ulenikov [et al.] |
|
| 203 |
_aText _celectronic |
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| 300 | _aTitle screen | ||
| 320 | _a[References: p. 2553-2554 (70 tit.)] | ||
| 330 | _aOperator perturbation theory and the symmetry properties of the axially symmetric XYZ3 (C3v) type molecules are used for the determination of the spectroscopic parameters in the form of functions of structural parameters and parameters of the intramolecular potential function. Several relations between sets of spectroscopic parameters of these molecules are obtained. The ‘expanded local mode’ model and the general isotopic substitution theory are used to estimate the relations between spectroscopic parameters of CH3D and CHD3, on one hand, and with the Td symmetric isotopic species, CH4, on the other hand. Test calculations with the isotopic relations show that even without including prior information about the CH3D and CHD3 species, numerical results of calculations are in a good agreement both with experimental data and with results of ab initio calculations. | ||
| 333 | _aРежим доступа: по договору с организацией-держателем ресурса | ||
| 461 |
_tMolecular Physics _oAn International Journal at the Interface Between Chemistry and Physics |
||
| 463 |
_tVol. 112, iss. 19 _v[P. 2529-2556] _d2014 |
||
| 610 | 1 | _aэлектронный ресурс | |
| 610 | 1 | _aтруды учёных ТПУ | |
| 701 | 1 |
_aUlenekov (Ulenikov) _bO. N. _cphysicist _cProfessor of Tomsk Polytechnic University, Doctor of physical and mathematical sciences _f1949- _gOleg Nikolaevich _2stltpush _3(RuTPU)RU\TPU\pers\34331 |
|
| 701 | 1 |
_aBekhtereva _bE. S. _cphysicist _cProfessor of Tomsk Polytechnic University, Doctor of physical and mathematical sciences _f1974- _gElena Sergeevna _2stltpush _3(RuTPU)RU\TPU\pers\34450 |
|
| 701 | 1 |
_aFomchenko _bA. L. _cphysicist _cAssistant of Tomsk Polytechnic University _f1987- _gAnna Leonidovna _2stltpush _3(RuTPU)RU\TPU\pers\34089 |
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| 701 | 1 |
_aLitvinovskaya _bA. G. _cPhysicist _cEngineer of the Department of Tomsk Polytechnic University _f1991- _gAnastasiya Georgievna _2stltpush _3(RuTPU)RU\TPU\pers\37512 |
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| 701 | 1 |
_aLeroy _bK. A. _cphysicist _cJunior researcher at Tomsk Polytechnic University, candidate of physico-mathematical Sciences _cProfessor, University of Montreal (France) _f1961- _gKlod (Claude) Andre _2stltpush _3(RuTPU)RU\TPU\pers\37958 |
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_aQuack _bM. |
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_aНациональный исследовательский Томский политехнический университет (ТПУ) _bФизико-технический институт (ФТИ) _bКафедра общей физики (ОФ) _h136 _2stltpush _3(RuTPU)RU\TPU\col\18734 |
| 712 | 0 | 2 |
_aНациональный исследовательский Томский политехнический университет (ТПУ) _bФизико-технический институт (ФТИ) _bКафедра теоретической и экспериментальной физики (ТиЭФ) _h138 _2stltpush _3(RuTPU)RU\TPU\col\18726 |
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_aRU _b63413507 _c20171003 _gRCR |
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| 856 | 4 | _uhttp://dx.doi.org/10.1080/00268976.2014.912360 | |
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