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Finely discretized lattice simulations of SPC/E water

✍ Scribed by Carrie S. Lock; Sarvin Moghaddam; Athanassios Z. Panagiotopoulos

Book ID
108131918
Publisher
Elsevier Science
Year
2004
Tongue
English
Weight
112 KB
Volume
222-223
Category
Article
ISSN
0378-3812

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πŸ“œ SIMILAR VOLUMES

Isothermal compressibility of SPC/E wate
Isothermal compressibility of SPC/E water
✍ Motakabbir, Kazi A.; Berkowitz, M. πŸ“‚ Article πŸ“… 1990 πŸ› American Chemical Society 🌐 English βš– 532 KB
The dielectric constant of SPC/E water
The dielectric constant of SPC/E water
✍ M. Rami Reddy; M. Berkowitz πŸ“‚ Article πŸ“… 1989 πŸ› Elsevier Science 🌐 English βš– 351 KB

Constant temperature molecular dynamics (Iv, V, Tensemble) calculations LIZ performed on 216 SPC/E water molecules at temperatures T=298 and 373 K and density 1 g/cm3, using the reaction field method. The calculated values for the static dielectric constant are+,= 70.7kO.8 at T=298 Kande,,=51 kO.35

The viscosity of SPC and SPC/E water at
The viscosity of SPC and SPC/E water at 277 and 300 K
✍ Paul E. Smith; Wilfred F. van Gunsteren πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 354 KB

The shear viscosity of the SPC and SPC/E water models at 277 and 300 K has been determined using equilibrium molecular dynamics. Good agreement with experiment was obtained for the SPC/E model at both temperatures. The viscosity of the SPC model was lower than the experimental value at both temperat