𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Influence of the electrostatic interactions on thermophysical properties of polyimides: Molecular-dynamics simulations

✍ Scribed by Falkovich, Stanislav G.; Lyulin, Sergey V.; Nazarychev, Victor M.; Larin, Sergey V.; Gurtovenko, Andrey A.; Lukasheva, Natalia V.; Lyulin, Alexey V.


Book ID
121695461
Publisher
John Wiley and Sons
Year
2014
Tongue
English
Weight
263 KB
Volume
52
Category
Article
ISSN
0887-6266

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Molecular dynamics simulations of water
✍ Mahfoud Belhadj; Howard E. Alper; Ronald M. Levy πŸ“‚ Article πŸ“… 1991 πŸ› Elsevier Science 🌐 English βš– 713 KB

The use of a partial charge version of the Ewald sum method to treat long range electrostatic interactions in molecular dynamics simulations of water has been investigated. The orientational structure and energetic properties of the liquid have been studied for several choices of Ewald sum parameter

FAMUSAMM: An algorithm for rapid evaluat
✍ Eichinger, M.; GrubmοΏ½ller, H.; Heller, H.; Tavan, P. πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 430 KB πŸ‘ 2 views

Within molecular dynamics simulations of protein᎐solvent systems the exact evaluation of long-range Coulomb interactions is computationally demanding and becomes prohibitive for large systems. Conventional truncation methods circumvent that computational problem, but are hampered by serious artifact