том 51 издание 2 страницы 238-243

Structure and spectra of 1,3-dioxanes. microwave spectrum, structural parameters, and ab initio calculations of 5-methyl-1,3-dioxane

Тип публикацииJournal Article
Дата публикации2010-04-01
SCImago Q3
WOS Q4
БС3
SJR0.243
CiteScore2.3
Impact factor1.5
ISSN00224766, 15738779
Materials Chemistry
Inorganic Chemistry
Physical and Theoretical Chemistry
Краткое описание
In the microwave spectrum of a 5-methyl-1,3-dioxane sample, the rotational transitions of a and c types with 4 ≤ J ≤ 11 for five isotopomers of a molecule with 13C and 18O isotopes in different sites are identified in a frequency range of 18 GHz to 42 GHz. The spectroscopic constants of isotopomers are found. The substituted r s and effective r o structural parameters of 5-methyl-1,3-dioxane are determined. By the B3PW91/aug-cc-pVDZ density functional method the equilibrium structure of the molecule is calculated. The results of quantum chemical calculations are compared to the experimental data.
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Journal of Structural Chemistry
2 публикации, 100%
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Pleiades Publishing
2 публикации, 100%
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ГОСТ |
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Mamleev A. Kh. et al. Structure and spectra of 1,3-dioxanes. microwave spectrum, structural parameters, and ab initio calculations of 5-methyl-1,3-dioxane // Journal of Structural Chemistry. 2010. Vol. 51. No. 2. pp. 238-243.
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Mamleev A. Kh., Gunderova L. N., Galeev R. V., Shapkin A. A., Faizullin M. G., Nikitina A. P., Shornikov D. V. Structure and spectra of 1,3-dioxanes. microwave spectrum, structural parameters, and ab initio calculations of 5-methyl-1,3-dioxane // Journal of Structural Chemistry. 2010. Vol. 51. No. 2. pp. 238-243.
RIS |
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TY - JOUR
DO - 10.1007/s10947-010-0037-8
UR - https://doi.org/10.1007/s10947-010-0037-8
TI - Structure and spectra of 1,3-dioxanes. microwave spectrum, structural parameters, and ab initio calculations of 5-methyl-1,3-dioxane
T2 - Journal of Structural Chemistry
AU - Mamleev, A Kh
AU - Gunderova, L N
AU - Galeev, R V
AU - Shapkin, A A
AU - Faizullin, M G
AU - Nikitina, A P
AU - Shornikov, D V
PY - 2010
DA - 2010/04/01
PB - Pleiades Publishing
SP - 238-243
IS - 2
VL - 51
SN - 0022-4766
SN - 1573-8779
ER -
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@article{2010_Mamleev,
author = {A Kh Mamleev and L N Gunderova and R V Galeev and A A Shapkin and M G Faizullin and A P Nikitina and D V Shornikov},
title = {Structure and spectra of 1,3-dioxanes. microwave spectrum, structural parameters, and ab initio calculations of 5-methyl-1,3-dioxane},
journal = {Journal of Structural Chemistry},
year = {2010},
volume = {51},
publisher = {Pleiades Publishing},
month = {apr},
url = {https://doi.org/10.1007/s10947-010-0037-8},
number = {2},
pages = {238--243},
doi = {10.1007/s10947-010-0037-8}
}
MLA
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Mamleev, A. Kh., et al. “Structure and spectra of 1,3-dioxanes. microwave spectrum, structural parameters, and ab initio calculations of 5-methyl-1,3-dioxane.” Journal of Structural Chemistry, vol. 51, no. 2, Apr. 2010, pp. 238-243. https://doi.org/10.1007/s10947-010-0037-8.
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