DOI

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 оригиналаанглийский
Страницы (с-по)170-176
Число страниц7
ЖурналTheoretical Chemistry Accounts
Том115
Номер выпуска2-3
DOI
СостояниеОпубликовано - 1 мар 2006

    Предметные области Scopus

  • Физическая и теоретическая химия

ID: 51951838