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  1. No Access

    Article

    Structural parameters of alanine zwitterion hydration from the data of the integral equation method in the RISM approximation

    The structural parameters of alanine zwitterion hydration in water were studied by means of the integral equation method in the framework of the 1D-RISM approximation. According to the calculations, ∼5.9 water...

    M. V. Fedotova, O. A. Dmitrieva in Russian Chemical Bulletin (2013)

  2. No Access

    Article

    Hydration of methylamine and methylammonium ion: structural and thermodynamic properties from the data of the integral equation method in the RISM approximation

    The structural and thermodynamic properties of hydration of methylamine and methyl-ammonium ion were investigated by the integral equations method in the RISM approximation. According to calculations, the aver...

    M. V. Fedotova, S. E. Kruchinin in Russian Chemical Bulletin (2012)

  3. No Access

    Article

    On calculations of the ion hydration free energy within the framework of the RISM approach

    The results of calculations of the hydration free energy for monovalent ions by the in- tegral equation method within the framework of the RISM approach with different sets of parameters of the Lennard-Jones p...

    M. V. Fedotova, S. E. Kruchinin in Russian Chemical Bulletin (2011)

  4. No Access

    Article

    Structure formation features of water and concentrated aqueous lithium halide solutions at low temperatures from the data of integral equation method

    The structure of water and the influence of halide ions on the structure formation of concentrated LiX : H2O (1 : 5; X = Cl, Br, I) solutions at low temperatures were studied by the method of integral equations. ...

    R. D. Oparin, M. V. Fedotova, A. A. Gribkov, V. N. Trostin in Russian Chemical Bulletin (2003)

  5. No Access

    Article

    Structural parameters of concentrated aqueous solutions of LiCl under extreme conditions, as calculated by the method of integral equations. Effect of temperature

    Peculiarities of structure formation of aqueous LiCl solutions at different salt : water molar ratios (LiCl : n H2O, n = 3.15, 8.05, 14.90) under conditions of isobaric heating (p = 100 bar, T = 298, 323—523 K, Δ

    R. D. Oparin, M. V. Fedotova, V. N. Trostin in Russian Chemical Bulletin (2001)

  6. No Access

    Article

    Investigation of the structure of concentrated aqueous solution of LiCl at low temperatures by the method of integral equations

    Peculiarities of the formation of the structure of aqueous LiCl solution (at a salt: water molar ratio of 1:5.3) in the temperature range 298-138 K were studied by the method of integral equations. Analysis of...

    R. D. Oparin, M. V. Fedotova, V. N. Trostin in Russian Chemical Bulletin (1999)