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  1. No Access

    Article

    On methods to determine the surface areas of molecules

    The known methods to determine the surface areas of molecules are discussed and a new method is proposed based on the molecule representation in the form of a molecular Voronoi-Dirichlet polyhedron. A linear c...

    M. A. Prokaeva, I. A. Baburin, V. N. Serezhkin in Journal of Structural Chemistry (2009)

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    Article

    Noncovalent interactions in binary halides and oxides with a molecular crystal structure

    A new method of crystal chemical analysis of intermolecular interactions using characteristics of molecular Voronoi-Dirichlet polyhedra (VDPs) in compound structure is considered in relation to the binary hali...

    V. N. Serezhkin, M. A. Prokaeva, D. V. Pushkin… in Russian Journal of Inorganic Chemistry (2009)

  3. No Access

    Article

    Nonbonded interactions in crystals of halogens and interhalogen compounds

    We consider a new method of crystal-chemical analysis of intermolecular interactions that employs parameters of atomic Voronoi-Dirichlet polyhedra (VDPs) in the structure as applied to halogens and interhaloge...

    V. V. Serezhkin, M. A. Prokaeva, D. V. Pushkin… in Russian Journal of Inorganic Chemistry (2009)

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    Article

    Correlation between the spatial structure of molecules of saturated hydrocarbons and their heats of adsorption

    The total area s m of Voronoi-Dirichlet polyhedron (VDP) faces corresponding to all intermolecular contacts of a molecule in a crystal structure and the...

    V. N. Serezhkin, M. A. Prokaeva… in Russian Journal of Physical Chemistry A, F… (2008)

  5. No Access

    Article

    Interrelation between the spatial structure of unsaturated hydrocarbon molecules and heats of their adsorption

    The total area (s m) of Voronoi-Dirichlet polyhedron faces corresponding to all intermolecular contacts of one molecule in the structure of crystals and the total volume of pyramids (V ...

    V. N. Serezhkin, M. A. Prokaeva… in Russian Journal of Physical Chemistry A, F… (2008)