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The question about the closest symmetrical packing of chemical substance species (molecules, ions, polymer chains, nanoparticles, etc.) is a subproblem of predicting the structure of matter, in particular, the structure… Click to show full abstract
The question about the closest symmetrical packing of chemical substance species (molecules, ions, polymer chains, nanoparticles, etc.) is a subproblem of predicting the structure of matter, in particular, the structure of a crystal, information about which makes it possible to predict almost all of its properties. The design of mathematical models for the closest symmetrical packing is an important and a challenging task for the practical application of optimization theory in theoretical chemistry. Here, we report about the development of the algorithm for water molecules’ symmetrical packing in a closed space of rectangular parallelepiped.
Journal Title: Symmetry
Year Published: 2022
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