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Full-atom molecular dynamics study of structure and stability of filament-like aggregates formed by silver mercaptide moleculesстатья
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: 24 октября 2016 г.
- Авторы: Komarov P.V., Mikhailov I.V., Alekseev V.G., Khizhnyak S.D., Pakhomov P.M.
- Журнал: Colloid Journal
- Том: 73
- Номер: 4
- Год издания: 2011
- Издательство: Pleiades Publishing, Ltd
- Местоположение издательства: Road Town, United Kingdom
- Первая страница: 482
- Последняя страница: 494
- DOI: 10.1134/S1061933X11030057
- Аннотация: The process of the emergence of gel network in a cystein-silver solution is studied by full-atom molecular dynamics. It is shown that, because of the formation of donor-acceptor sulfur-silver bonds, clus-ters are formed by zwitterions and cations of silver mercaptide followed by the formation of filament-like aggregates. The analysis of formed molecular configurations demonstrates that filament-like aggregates are stabilized by virtue of the interaction between -NH+ 3 and -C(O)O- groups that belong to the particles of silver mercaptide comprising neighbor clusters. The absorption UV spectra of various aggregates formed from particles of silver mercaptide are investigated by the quantum-mechanical ZINDO/1 method. © Pleiades Publishing, Ltd., 2011.
- Добавил в систему: Комаров Павел Вячеславович