Abstract
A new numerical method to determine the chirality of water configurations is developed. It consists in the comparison of matrices composed for both initial configuration and its mirror image based on the information of four bound water molecules. The method developed enables the rapid and unambiguous determination of the chirality of an aqueous system.
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Translated from Zhurnal Strukturnoi Khimii, Vol. 57, No. 5, pp. 983-989, June-July, 2016.
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Khakhalin, A.V., Gradoboeva, O.N. A method to determine and classify the chirality of the water medium. J Struct Chem 57, 934–939 (2016). https://doi.org/10.1134/S0022476616050127
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DOI: https://doi.org/10.1134/S0022476616050127