𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A molecular dynamics study of an aqueous NaCl-solution

✍ Scribed by W. Dietz; Ph. Bopp; K. Heinzinger


Publisher
Elsevier Science
Year
1980
Tongue
English
Weight
186 KB
Volume
40
Category
Article
ISSN
0020-1693

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Molecular dynamics study of an aqueous p
✍ Christoph Ebner; Roland Sansone; Sunantha Hengrasmee; Michael Probst πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 554 KB

We report the results of a molecular dynamics simulation on the system KNO rH O. For the interaction between nitrate anion, water molecule, and potassium 3 2 cation, newly developed analytical potentials were employed whereas the water᎐water interactions were described with the MCYL potential. Water

Molecular dynamics simulation of the con
✍ Jon Anderson; John Ullo; Sidney Yip πŸ“‚ Article πŸ“… 1988 πŸ› Elsevier Science 🌐 English βš– 542 KB

The concentration-dcpendcnt static dielectric constants of model NaCI-water solutions are calculated using molecular dynamics simulations. Water is rcpresentcd by the SPC model, modified to include intramolecular vibrations. Ion-water interactions are derived from ab imtio calculations, and the ion-

A molecular dynamics simulation study of
✍ 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