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Topology of hydrogen-bonded clusters in sub- and supercriticaln-buthanol. Molecular dynamics simulation

✍ Scribed by D. V. Ivlev; A. A. Dyshin; M. G. Kiselev; A. M. Kolker


Book ID
110185158
Publisher
International Academic Publishing Co (Nauka/Interperiodica)
Year
2010
Tongue
English
Weight
221 KB
Volume
84
Category
Article
ISSN
0036-0244

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A series of molecular dynamics (MD) simulations have been carried out to study hydrogen bonding in aqueous ionic solutions at ambient conditions. Alkali metal and halides with different sizes have been considered. A separate study of the hydrogen bond (HB) populations in the first and second hydrati