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Investigation of the chiral properties of configurations of (H$_2$O)$_n$, K$^+$(H$_2$O)$_m$ and Na$^+$(H$_2$O)$_m$ ($n=4-8$, $m=5-10$) small water clusters at 1 K

A.V. Khakhalin, O.N.Gradoboeva

Moscow University Physics Bulletin 2016. 71. N 4. P. 413

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Annotation

The Monte Carlo procedure and a new method to determine the chirality of water environments and their classification were used for the first time to study the chiral properties of small water clusters such as (H$_2$O)$_n$, K$^+$(H$_2$O)$_m$, and Na$^+$(H$_2$O)$_m$ ($n = 4–8$, $m = 5–10$) at a temperature of 1 K. The probability that the studied water clusters will be chiral becomes higher at an increase in their size. It is revealed that a small water cluster devoid of impurities is not dominated by one of the arrangements (right or left). The addition of K$^+$ or Na$^+$ impurity ions does not change the equilibrium distribution of right and left configurations in the 10 000-sample set.

Received: 2016 January 28
Approved: 2016 October 12
PACS:
61.20.-p Structure of liquids
Authors
A.V. Khakhalin, O.N.Gradoboeva
Department of Molecular Processes and Extreme States of Matter, Faculty of Physics, Lomonosov Moscow State University, Moscow 119991, Russia
Issue 4, 2016

Moscow University Physics Bulletin

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