Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Molecular dynamics simulations of a Ni2+ ion in water have been carried out to investigate the structure and dynamics of water molecules around the nickel, extending the analysis to the second hydration shell. The structural parameters as well as the motions of water molecules in various sub-structures of the solution have been evaluated giving a detailed picture of the motional modes of water molecules.
Язык оригинала | английский |
---|---|
Страницы (с-по) | 170-176 |
Число страниц | 7 |
Журнал | Theoretical Chemistry Accounts |
Том | 115 |
Номер выпуска | 2-3 |
DOI | |
Состояние | Опубликовано - 1 мар 2006 |
ID: 51951838