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A long-ranged electrostatic interaction in computer simulations

✍ Scribed by Soong-Hyuck Suh; Kiryong Ha; Jong-Shik Kim; Chan-Young Park; Nam Ho Heo

Book ID
110641685
Publisher
Springer US
Year
1992
Tongue
English
Weight
676 KB
Volume
9
Category
Article
ISSN
0256-1115

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πŸ“œ SIMILAR VOLUMES

Molecular dynamics simulations of water
Molecular dynamics simulations of water with Ewald summation for the long range electrostatic interactions
✍ 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