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Izvestiya of Saratov University. Physics, 2013, Volume 13, Issue 1, Pages 58–63 (Mi isuph159)  
Physics

Rotational isomeric and vibrational spectra of monomers and dimers for acrylic acid

M. D. Elkina, E. A. Ermanb, D. M. Nuralievab

a Saratov State University
b Astrakhan State University
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Abstract: In frame of method DFT/b3LYP modelling calculation of geometrical structure and vibrational spectra for monomers and dimmers of trans- and cis- isomers of acrylic acid are carried out. The influence of anharmonic resonance effects and intermolecular interection on state and intensities of bands in IR and Raman spectra are researched.
Keywords: Acrylic Acid, vibrational spectra, structual-dynamic models, intermolecular interection.
Document Type: Article
UDC: 539.193/.194;535/.33/34
Language: Russian
Citation: M. D. Elkin, E. A. Erman, D. M. Nuralieva, “Rotational isomeric and vibrational spectra of monomers and dimers for acrylic acid”, Izv. Sarat. Univ. Physics, 13:1 (2013), 58–63
Citation in format AMSBIB
\Bibitem{ElkErmNur13}
\by M.~D.~Elkin, E.~A.~Erman, D.~M.~Nuralieva
\paper Rotational isomeric and vibrational spectra of monomers and dimers for acrylic acid
\jour Izv. Sarat. Univ. Physics
\yr 2013
\vol 13
\issue 1
\pages 58--63
\mathnet{http://mi.mathnet.ru/isuph159}
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