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An intermediate radial distribution curve maximum of water and its relation to the topology of the network of H-bonds in liquid waterстатья
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
- Авторы: Solovei A.B., Lobyshev V.I.
- Журнал: Russian Journal of Physical Chemistry A
- Том: 80
- Номер: 10
- Год издания: 2006
- Издательство: Pleiades Publishing, Ltd
- Местоположение издательства: Road Town, United Kingdom
- Первая страница: 1578
- Последняя страница: 1583
- DOI: 10.1134/S0036024406100074
- Аннотация: The structure of a complex of a water molecule with first and second coordination sphere molecules was analyzed. Model structures were calculated using the TIP3P and Poltev-Malenkov potentials. It was found that stable structures of four water molecules could exist. In these structures, oxygen atoms are situated at characteristic distances of 0.37 nm from each other. This distance corresponds to the "intermediate" maximum of the radial distribution curve. The existence of such structures correlates with the formation of bifurcated bonds in liquid water. This result can be obtained by changing the topology of the water structure while retaining the tetrahedral character of structural elements.
- Добавил в систему: Лобышев Валентин Иванович