𝔖 Bobbio Scriptorium
✦   LIBER   ✦

New intermolecular energy calculation scheme: applications to potential surface and liquid properties of water

✍ Scribed by Wallqvist, A.; Ahlstroem, P.; Karlstroem, G.


Book ID
111674095
Publisher
American Chemical Society
Year
1990
Tongue
English
Weight
974 KB
Volume
94
Category
Article
ISSN
0022-3654

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


A new method for determining the interfa
✍ LΓ­via B. PΓ‘rtay; GyΓΆrgy Hantal; PΓ‘l Jedlovszky; ÁrpΓ‘d Vincze; George Horvai πŸ“‚ Article πŸ“… 2008 πŸ› John Wiley and Sons 🌐 English βš– 777 KB

## Abstract A new method is presented to identify the truly interfacial molecules at fluid/fluid interfaces seen at molecular resolution, a situation that regularly occurs in computer simulations. In the new method, the surface is scanned by moving a probe sphere of a given radius along a large set