Vestnik of Astrakhan State Technical University. Series: Management, Computer Sciences and Informatics
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Vestnik of Astrakhan State Technical University. Series: Management, Computer Sciences and Informatics, 2011, Number 2, Pages 63–67 (Mi vagtu125)  
This article is cited in 1 scientific paper (total in 1 paper)

MANAGEMENT AND MODELLING OF TECHNOLOGICAL PROCESSES AND TECHNICAL SYSTEMS

Modeling of the structure of triftor benzoic acid in the condensed state

M. D. Elkina, O. N. Grechukhinab, M. V. Kartashovc

a Astrakhan State University
b Astrakhan State Technical University
c Astrakhan Branch of Volga State Academy of Water Transport
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Abstract: Structural-dynamic models of dimmers of connections are offered on the basis of non-observational quantum calculations of geometrical and electronic structure of isomers of 2, 3, 4- and 2, 3, 6-triftor-benzoic acid. Comparison of experimental data on vibration spectrums with information of a computing experiment enables to affirm that the method of density functional allows to carry out reliable predict calculations of geometry and vibration states of halogenated benzoic acid in the condensed state.
Keywords: anharmonicity of vibration, dimmer, triftor-benzoic acid, adiabatic potential, intermolecular interection.
Received: 08.06.2011
Document Type: Article
UDC: 539.193.194;535/33.34
Language: Russian
Citation: M. D. Elkin, O. N. Grechukhina, M. V. Kartashov, “Modeling of the structure of triftor benzoic acid in the condensed state”, Vestn. Astrakhan State Technical Univ. Ser. Management, Computer Sciences and Informatics, 2011, no. 2, 63–67
Citation in format AMSBIB
\Bibitem{ElkGreKar11}
\by M.~D.~Elkin, O.~N.~Grechukhina, M.~V.~Kartashov
\paper Modeling of the structure of triftor benzoic acid in the condensed state
\jour Vestn. Astrakhan State Technical Univ. Ser. Management, Computer Sciences and Informatics
\yr 2011
\issue 2
\pages 63--67
\mathnet{http://mi.mathnet.ru/vagtu125}
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  • https://www.mathnet.ru/eng/vagtu/y2011/i2/p63
    • This publication is cited in the following 1 articles:
    Citing articles in Google Scholar: Russian citations, English citations
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    		Вестник Астраханского государственного технического университета. Серия: Управление, вычислительная техника и информатика
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    Abstract page:114
    Full-text PDF :58
    References:34
    First page:1
     
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