Full-atom molecular dynamics study of structure and stability of filament-like aggregates formed by silver mercaptide moleculesстатья
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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