𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Structure and Properties of Neat Liquids Using Nonadditive Molecular Dynamics: Water, Methanol, and N-Methylacetamide

✍ Scribed by Caldwell, James W.; Kollman, Peter A.


Book ID
120524412
Publisher
American Chemical Society
Year
1995
Tongue
English
Weight
887 KB
Volume
99
Category
Article
ISSN
0022-3654

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Thermodynamic and structural properties
✍ Yang Zhong; G. Lee Warren; Sandeep Patel πŸ“‚ Article πŸ“… 2008 πŸ› John Wiley and Sons 🌐 English βš– 545 KB

## Abstract We study bulk structural and thermodynamic properties of methanol–water solutions via molecular dynamics simulations using novel interaction potentials based on the charge equilibration (fluctuating charge) formalism to explicitly account for molecular polarization at the atomic level.