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Izvestiya of Saratov University. Physics, 2009, Volume 9, Issue 2, Pages 13–19
DOI: https://doi.org/10.18500/1817-3020-2009-9-2-13-19
(Mi isuph60)
 

This article is cited in 1 scientific paper (total in 1 paper)

Physics

Ir spectrum of the methyl-$\beta$-D-glucopyranoside and its interpretation on basis structural-dynamic model construction

L. M. Babkova, M. V. Korolevichb, E. A. Moisejkinab

a Saratov State University
b B. I. Stepanov Institute of Physics, National Academy of Sciences of Belarus, Minsk
References:
Abstract: Structural-dynamic models of the methyl-$\beta$-D-glucopyranoside molecule are constructed by density functional method in bases 6-31 G(d), 6-31+G (d, p). Energies, structures, dipole moments, polarizabilities, frequencies of normal modes in harmonic approximation and IR intensities have been calculated. Interpretation of IR absorption spectrum is presented in range 400-3700 cm$^{-1}$. Advantages of model, which was constructed, compared with model, which bases on using valence-force field method and valency-optical theory, are discussed.
Keywords: methyl-$\beta$-D-glucopyranoside, molecular modeling, density functional method, valence-force field method, valence-optical theory, electro-optical parameters, mechanical parameters, normal modes, IR spectrum, frequencies, intensity.
Document Type: Article
UDC: 539.194
Language: Russian
Citation: L. M. Babkov, M. V. Korolevich, E. A. Moisejkina, “Ir spectrum of the methyl-$\beta$-D-glucopyranoside and its interpretation on basis structural-dynamic model construction”, Izv. Sarat. Univ. Physics, 9:2 (2009), 13–19
Citation in format AMSBIB
\Bibitem{BabKorMoi09}
\by L.~M.~Babkov, M.~V.~Korolevich, E.~A.~Moisejkina
\paper Ir spectrum of the methyl-$\beta$-D-glucopyranoside and its interpretation on basis structural-dynamic model construction
\jour Izv. Sarat. Univ. Physics
\yr 2009
\vol 9
\issue 2
\pages 13--19
\mathnet{http://mi.mathnet.ru/isuph60}
\crossref{https://doi.org/10.18500/1817-3020-2009-9-2-13-19}
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  • https://www.mathnet.ru/eng/isuph/v9/i2/p13
  • This publication is cited in the following 1 articles:
    Citing articles in Google Scholar: Russian citations, English citations
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    Izvestiya of Saratov University. Physics
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