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Molecular Simulation Study of Tetraalkylammonium Halides. 1. Solvation Structure and Hydrogen Bonding in Aqueous Solutions

✍ Scribed by Slusher, Joseph T.; Cummings, Peter T.

Book ID
120570828
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
212 KB
Volume
101
Category
Article
ISSN
0022-3654

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πŸ“œ SIMILAR VOLUMES

A molecular dynamics simulation study of
A molecular dynamics simulation study of hydrogen bonding in aqueous ionic solutions
✍ Elvira GuΓ rdia; Jordi MartΓ­; Lino GarcΓ­a-TarrΓ©s; Daniel Laria πŸ“‚ Article πŸ“… 2005 πŸ› Elsevier Science 🌐 English βš– 218 KB

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