Computer construction of modular structures of water

A computer method is suggested for the construction of parametric water structures of generalized crystallography using modular design principles. Different types of cluster connection are described and several examples of final fractal structures are given. The possibility of various structures wit...

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Bibliographic Details
Published in:Journal of molecular liquids 2003-07, Vol.106 (2), p.277-297
Main Authors: Lobyshev, V.I., Solovey, A.B., Bulienkov, N.A.
Format: Article
Language:English
Subjects:
bound water
computer construction
fractal structures
generalized crystallography
modular design
water
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Summary:A computer method is suggested for the construction of parametric water structures of generalized crystallography using modular design principles. Different types of cluster connection are described and several examples of final fractal structures are given. The possibility of various structures with nonlinear morphologies including “rod”, “ring”, “net”, “helix”, “membrane” and “membrane with helix channel” is shown. Distribution function of covalent angle values is calculated for large clusters and it is shown that the most probable angles correspond to 104° and 112°, but are not exactly tetrahedral.
ISSN:0167-7322
1873-3166
DOI:10.1016/S0167-7322(03)00115-6