MD Calculated Structural Properties of Clusters in Liquid Acetonitrile/Water Mixtures with Various Contents of Acetonitrile

The diversity of the water and acetonitrile structures in a binary system, caused by local structural inhomogeneities, has been investigated by molecular dynamic simulations. Our systems cover a broad range of acetonitrile mole fractions: dilute, moderate, and higher concentration mixtures. For refe...

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Detalhes bibliográficos
Autor principal: Oldiges, Christian (author)
Outros Autores: Wittler, Kai (author), Tönsing, Thorsten (author), Alijah, Alexander (author)
Formato: article
Idioma:eng
Publicado em: 2002
Texto completo:http://hdl.handle.net/10316/10414
País:Portugal
Oai:oai:estudogeral.sib.uc.pt:10316/10414