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  1. No Access

    Article

    Hydration structure of -NH 2 + and -COO− of L-proline zwitterion from data of 1D-RISM integral equation method

    The hydration structure of hydrophilic groups of L-proline zwitterion is studied by means of the 1D-RISM integral equation method. The structural parameters of hydration and features of hydrogen bonding betwee...

    M. V. Fedotova, O. A. Dmitrieva in Russian Journal of Physical Chemistry A (2014)

  2. No Access

    Article

    Structural parameters of glycine zwitterion hydration from the data of the integral equation method in the RISM approach

    The structural parameters of glycine zwitterion in water were studied by means of the integral equation method in the framework of the RISM approximation. According to calculations, five water molecules are lo...

    M. V. Fedotova, S. E. Kruchinin in Russian Journal of Physical Chemistry A (2012)

  3. No Access

    Article

    Structure of aqueous RbCl solutions with different concentrations based on an analysis of pair correlation functions

    The results from theoretical studies of the structural features of aqueous RbCl solutions in the concentration range of 2–6 M under standard conditions (T = 298 K, p = 0.1 MPa) are presented. Concentration regula...

    M. V. Fedotova in Russian Journal of Physical Chemistry A (2011)

  4. No Access

    Article

    Structural parameters of RbBr aqueous solution under nearcritical and supercritical conditions with close densities (∼0.65 g/cm3)

    The results of a theoretical investigation for structural properties of diluted RbBr aqueous solution under nearcritical (T = 638 K, p = 38.9 MPa, ρ = 0.65 g/cm3) and supercritical conditions (T = 697 K, p = 63.3...

    M. V. Fedotova in Russian Journal of Physical Chemistry A (2009)

  5. No Access

    Article

    Structural parameters of aqueous NaCl in a high-density supercritical state

    The paper presents the results of our theoretical study of the structural properties of a solution of NaCl in water, NaCl: 12.7H2O, in a high-density supercritical state (ρ = 0.867 g/cm3). These results are compa...

    M. V. Fedotova in Russian Journal of Physical Chemistry A, Focus on Chemistry (2008)

  6. No Access

    Article

    The influence of pressure on the structure of aqueous solutions of NaCl over the pressure range 0.1–1000 MPa according to the integral equation method

    The influence of pressure (0.1–1000 MPa) on the structure of aqueous solutions of NaCl (1.91–3.08 m) at constant temperatures of 298 and 623 K was studied by the integral equation method. The most substantial ...

    M. V. Fedotova in Russian Journal of Physical Chemistry A (2007)

  7. No Access

    Article

    Relationship between the Structural State of Water and the Character of Ion Hydration in Concentrated 1:1 Aqueous Solutions of Electrolytes in Extreme Conditions

    It is suggested that the association parameter A be used as an indicator demonstrating the effect of extremal conditions on the structure of water in the series of solutions

    R. D. Oparin, M. V. Fedotova, V. N. Trostin in Journal of Structural Chemistry (2002)

  8. No Access

    Article

    Structural Properties of Concentrated Aqueous Solutions of Lithium Chloride Near the Critical Point of Water as Calculated by the Integral Equation Method

    The integral equation method was used to study structure formation in concentrated aqueous solutions of lithium chloride in the near-critical region (P = 20 MPa, T = 298-623 K). It is found that when the LiCl–H2O...

    M. V. Fedotova, R. D. Oparin, V. N. Trostin in Journal of Structural Chemistry (2002)